(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one

C14H21NO — CID 177194439

IUPAC(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
SMILESCC(C)(C)C(=O)[C@](C)(N)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-13(2,3)12(16)14(4,15)10-11-8-6-5-7-9-11/h5-9H,10,15H2,1-4H3/t14-/m1/s1
InChIKeyDRYRSTSYXCSVIA-CQSZACIVSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds3

About (2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one

(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one (PubChem CID 177194439) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
PubChem CID177194439
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
SMILESCC(C)(C)C(=O)[C@](C)(N)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-13(2,3)12(16)14(4,15)10-11-8-6-5-7-9-11/h5-9H,10,15H2,1-4H3/t14-/m1/s1
InChIKeyDRYRSTSYXCSVIA-CQSZACIVSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 134918907
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2R)-2-amino-2-methyl-3-phenylpropanimidamide
CID 70333912
2-amino-3-(4-benzylsulfanylphenyl)-2-methylpropanamide
CID 151945338
2-amino-2-methyl-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 174794603
4,4-dichloro-2,2-dimethyl-1-phenylpentan-3-one
CID 15444576
2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one?
The IUPAC name of (2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one (CID 177194439) is (2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one.
What is the SMILES notation for (2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one?
The canonical SMILES for (2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one is CC(C)(C)C(=O)[C@](C)(N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one?
The InChIKey is DRYRSTSYXCSVIA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO/c1-13(2,3)12(16)14(4,15)10-11-8-6-5-7-9-11/h5-9H,10,15H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one?
(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one has a molecular weight of 219.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one is sourced from PubChem (CID 177194439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).