(2S)-N,2-dimethyl-4-phenylbutan-1-amine

C12H19N — CID 134172295

IUPAC(2S)-N,2-dimethyl-4-phenylbutan-1-amine
SMILESCNC[C@@H](C)CCc1ccccc1
InChIInChI=1S/C12H19N/c1-11(10-13-2)8-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t11-/m0/s1
InChIKeyANGWKAIJDYWPKC-NSHDSACASA-N
MW177.29 g/mol
LogP2.47
Rot. Bonds5

About (2S)-N,2-dimethyl-4-phenylbutan-1-amine

(2S)-N,2-dimethyl-4-phenylbutan-1-amine (PubChem CID 134172295) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-4-phenylbutan-1-amine
PubChem CID134172295
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2S)-N,2-dimethyl-4-phenylbutan-1-amine
SMILESCNC[C@@H](C)CCc1ccccc1
InChIInChI=1S/C12H19N/c1-11(10-13-2)8-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t11-/m0/s1
InChIKeyANGWKAIJDYWPKC-NSHDSACASA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(methylaminomethyl)-4-phenylbutanenitrile
CID 129015746
N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
CID 115001394
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid
CID 120511517
(2S)-2-methyl-N-(2-methylsulfonylethyl)-4-phenylbutan-1-amine
CID 97250634
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
5-(4-benzylphenyl)-3-methylpentan-1-amine
CID 65305469
N,3-dimethyl-6-phenylhexan-1-amine
CID 81012432
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
N-benzyl-2-methyl-5-phenylpentan-1-amine
CID 19048188
2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride
CID 122239963
(2S)-4-phenylbutan-2-amine
CID 6994564

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-4-phenylbutan-1-amine?
The IUPAC name of (2S)-N,2-dimethyl-4-phenylbutan-1-amine (CID 134172295) is (2S)-N,2-dimethyl-4-phenylbutan-1-amine.
What is the SMILES notation for (2S)-N,2-dimethyl-4-phenylbutan-1-amine?
The canonical SMILES for (2S)-N,2-dimethyl-4-phenylbutan-1-amine is CNC[C@@H](C)CCc1ccccc1.
What is the InChIKey of (2S)-N,2-dimethyl-4-phenylbutan-1-amine?
The InChIKey is ANGWKAIJDYWPKC-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N/c1-11(10-13-2)8-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-4-phenylbutan-1-amine?
(2S)-N,2-dimethyl-4-phenylbutan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-4-phenylbutan-1-amine is sourced from PubChem (CID 134172295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).