(2S)-2-amino-1-phenylhexan-1-one

C12H17NO — CID 139626010

IUPAC(2S)-2-amino-1-phenylhexan-1-one
SMILESCCCC[C@H](N)C(=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9,13H2,1H3/t11-/m0/s1
InChIKeyISQPKHKHCAXWCD-NSHDSACASA-N
MW191.27 g/mol
LogP2.39
Rot. Bonds5

About (2S)-2-amino-1-phenylhexan-1-one

(2S)-2-amino-1-phenylhexan-1-one (PubChem CID 139626010) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-2-amino-1-phenylhexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-phenylhexan-1-one
PubChem CID139626010
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-2-amino-1-phenylhexan-1-one
SMILESCCCC[C@H](N)C(=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9,13H2,1H3/t11-/m0/s1
InChIKeyISQPKHKHCAXWCD-NSHDSACASA-N
XLogP2.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-aminohexanoyl)phenyl]acetic acid
CID 70523747
2-fluoro-1-phenylhexan-1-one
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(4S)-4-amino-5-oxo-5-phenylpentanoic acid
CID 95949821
2-pentyl-1-phenylheptan-1-one
CID 67882345
2-amino-1-(3,4-dichlorophenyl)hexan-1-one
CID 116556832
2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929
2,3-diamino-1-phenylpropan-1-one
CID 4990100
2-(2-chloroethyl)-1-phenylhexan-1-one
CID 154318606
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
2-benzoyldodecanamide
CID 87280750
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
3-amino-1-phenyloctadecan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-phenylhexan-1-one?
The IUPAC name of (2S)-2-amino-1-phenylhexan-1-one (CID 139626010) is (2S)-2-amino-1-phenylhexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-phenylhexan-1-one?
The canonical SMILES for (2S)-2-amino-1-phenylhexan-1-one is CCCC[C@H](N)C(=O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-1-phenylhexan-1-one?
The InChIKey is ISQPKHKHCAXWCD-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9,13H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-1-phenylhexan-1-one?
(2S)-2-amino-1-phenylhexan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-phenylhexan-1-one is sourced from PubChem (CID 139626010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).