(2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one

C71H105BrFN5O5 — CID 159438092

IUPAC(2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)[C@H](N)Cc1ccc(Br)cc1.CC(C)(C)C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)C(=O)[C@H](N)Cc1ccccc1F.Cc1ccc(C[C@@H](N)C(=O)C(C)(C)C)cc1.Cc1cccc(C[C@@H](N)C(=O)C(C)(C)C)c1
InChIInChI=1S/C17H27NO.2C14H21NO.C13H18BrNO.C13H18FNO/c1-16(2,3)13-9-7-12(8-10-13)11-14(18)15(19)17(4,5)6;1-10-5-7-11(8-6-10)9-12(15)13(16)14(2,3)4;1-10-6-5-7-11(8-10)9-12(15)13(16)14(2,3)4;1-13(2,3)12(16)11(15)8-9-4-6-10(14)7-5-9;1-13(2,3)12(16)11(15)8-9-6-4-5-7-10(9)14/h7-10,14H,11,18H2,1-6H3;2*5-8,12H,9,15H2,1-4H3;2*4-7,11H,8,15H2,1-3H3/t14-;2*12-;2*11-/m11111/s1
InChIKeyLRVGDVCCHLHMRX-MQLPMOGLSA-N
MW1207.55 g/mol
LogP13.67
Rot. Bonds15

About (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one

(2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one (PubChem CID 159438092) has the molecular formula C71H105BrFN5O5 and a molecular weight of 1207.55 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
PubChem CID159438092
Molecular FormulaC71H105BrFN5O5
Molecular Weight1207.55 g/mol
Exact Mass1205.73
IUPAC Name(2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)[C@H](N)Cc1ccc(Br)cc1.CC(C)(C)C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)C(=O)[C@H](N)Cc1ccccc1F.Cc1ccc(C[C@@H](N)C(=O)C(C)(C)C)cc1.Cc1cccc(C[C@@H](N)C(=O)C(C)(C)C)c1
InChIInChI=1S/C17H27NO.2C14H21NO.C13H18BrNO.C13H18FNO/c1-16(2,3)13-9-7-12(8-10-13)11-14(18)15(19)17(4,5)6;1-10-5-7-11(8-6-10)9-12(15)13(16)14(2,3)4;1-10-6-5-7-11(8-10)9-12(15)13(16)14(2,3)4;1-13(2,3)12(16)11(15)8-9-4-6-10(14)7-5-9;1-13(2,3)12(16)11(15)8-9-6-4-5-7-10(9)14/h7-10,14H,11,18H2,1-6H3;2*5-8,12H,9,15H2,1-4H3;2*4-7,11H,8,15H2,1-3H3/t14-;2*12-;2*11-/m11111/s1
InChIKeyLRVGDVCCHLHMRX-MQLPMOGLSA-N
XLogP13.67
TPSA215.45 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.55
LogP ≤ 513.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one with MolForge

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Related Compounds

(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 58458324
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-bromo-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 62393729
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60793481
(2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119308133
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 116850478
2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
CID 70878581

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one?
The IUPAC name of (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one (CID 159438092) is (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)[C@H](N)Cc1ccc(Br)cc1.CC(C)(C)C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)C(=O)[C@H](N)Cc1ccccc1F.Cc1ccc(C[C@@H](N)C(=O)C(C)(C)C)cc1.Cc1cccc(C[C@@H](N)C(=O)C(C)(C)C)c1.
What is the InChIKey of (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one?
The InChIKey is LRVGDVCCHLHMRX-MQLPMOGLSA-N. The full InChI is InChI=1S/C17H27NO.2C14H21NO.C13H18BrNO.C13H18FNO/c1-16(2,3)13-9-7-12(8-10-13)11-14(18)15(19)17(4,5)6;1-10-5-7-11(8-6-10)9-12(15)13(16)14(2,3)4;1-10-6-5-7-11(8-10)9-12(15)13(16)14(2,3)4;1-13(2,3)12(16)11(15)8-9-4-6-10(14)7-5-9;1-13(2,3)12(16)11(15)8-9-6-4-5-7-10(9)14/h7-10,14H,11,18H2,1-6H3;2*5-8,12H,9,15H2,1-4H3;2*4-7,11H,8,15H2,1-3H3/t14-;2*12-;2*11-/m11111/s1.
What are the key properties of (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one?
(2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one has a molecular weight of 1207.55 g/mol, XLogP of 13.67, 15 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 159438092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).