(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one

C13H19NO — CID 10104411

IUPAC(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one
SMILESCc1ccc(C(=O)[C@@H](N)CC(C)C)cc1
InChIInChI=1S/C13H19NO/c1-9(2)8-12(14)13(15)11-6-4-10(3)5-7-11/h4-7,9,12H,8,14H2,1-3H3/t12-/m0/s1
InChIKeyZDALKVWRRVYJBU-LBPRGKRZSA-N
MW205.30 g/mol
LogP2.55
Rot. Bonds4

About (2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one

(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one (PubChem CID 10104411) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one
PubChem CID10104411
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one
SMILESCc1ccc(C(=O)[C@@H](N)CC(C)C)cc1
InChIInChI=1S/C13H19NO/c1-9(2)8-12(14)13(15)11-6-4-10(3)5-7-11/h4-7,9,12H,8,14H2,1-3H3/t12-/m0/s1
InChIKeyZDALKVWRRVYJBU-LBPRGKRZSA-N
XLogP2.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3,4-dichlorophenyl)-4-methylpentan-1-one
CID 116553625
4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride
CID 171323405
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315
2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 116553536
(2S)-2-amino-4-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]pentan-1-one
CID 119708731
2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one
CID 116553665
3-[(2S)-2-amino-4-methylpentanoyl]benzoic acid
CID 141035266
(2S)-2-amino-4-methylpentanoic acid;bis(4-methylbenzenesulfonic acid)
CID 175907488
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
3-amino-1-(4-methylphenyl)butan-1-one
CID 55254036
2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107514837
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one?
The IUPAC name of (2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one (CID 10104411) is (2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one is Cc1ccc(C(=O)[C@@H](N)CC(C)C)cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one?
The InChIKey is ZDALKVWRRVYJBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)8-12(14)13(15)11-6-4-10(3)5-7-11/h4-7,9,12H,8,14H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one?
(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one is sourced from PubChem (CID 10104411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).