(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one

C14H20ClNO — CID 102183228

IUPAC(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
SMILESC[C@H](C(=O)c1cccc(Cl)c1)N(C)C(C)(C)C
InChIInChI=1S/C14H20ClNO/c1-10(16(5)14(2,3)4)13(17)11-7-6-8-12(15)9-11/h6-10H,1-5H3/t10-/m1/s1
InChIKeyBJLKZFUZNNATGZ-SNVBAGLBSA-N
MW253.77 g/mol
LogP3.64
Rot. Bonds3

About (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one

(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one (PubChem CID 102183228) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
PubChem CID102183228
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
SMILESC[C@H](C(=O)c1cccc(Cl)c1)N(C)C(C)(C)C
InChIInChI=1S/C14H20ClNO/c1-10(16(5)14(2,3)4)13(17)11-7-6-8-12(15)9-11/h6-10H,1-5H3/t10-/m1/s1
InChIKeyBJLKZFUZNNATGZ-SNVBAGLBSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
[tert-butyl-[1-(3-chlorophenyl)-1-oxopropan-2-yl]amino]methyl propan-2-yl carbonate
CID 56962378
CID 87798938
CID 87798938
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050758
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416166
(2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416165
bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);dihydrochloride
CID 69303018
1-tert-butyl-1-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-3-[(1R)-1-phenylethyl]thiourea
CID 132504333
(2R)-1-(3-chlorophenyl)-2-deuterio-2,4,4-trimethylpentan-1-one
CID 153145268
1-(3-chlorophenyl)-2-deuterio-2,4,4-trimethylpentan-1-one
CID 153145267

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one?
The IUPAC name of (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one (CID 102183228) is (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one.
What is the SMILES notation for (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one?
The canonical SMILES for (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one is C[C@H](C(=O)c1cccc(Cl)c1)N(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one?
The InChIKey is BJLKZFUZNNATGZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(16(5)14(2,3)4)13(17)11-7-6-8-12(15)9-11/h6-10H,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one?
(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one has a molecular weight of 253.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one is sourced from PubChem (CID 102183228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).