(2S)-2,3-dimethyl-1-phenylbutan-2-amine

C12H19N — CID 93299297

IUPAC(2S)-2,3-dimethyl-1-phenylbutan-2-amine
SMILESCC(C)[C@@](C)(N)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-10(2)12(3,13)9-11-7-5-4-6-8-11/h4-8,10H,9,13H2,1-3H3/t12-/m0/s1
InChIKeyUSXPAIXRRGBHAA-LBPRGKRZSA-N
MW177.29 g/mol
LogP2.60
Rot. Bonds3

About (2S)-2,3-dimethyl-1-phenylbutan-2-amine

(2S)-2,3-dimethyl-1-phenylbutan-2-amine (PubChem CID 93299297) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-1-phenylbutan-2-amine.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-1-phenylbutan-2-amine
PubChem CID93299297
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2S)-2,3-dimethyl-1-phenylbutan-2-amine
SMILESCC(C)[C@@](C)(N)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-10(2)12(3,13)9-11-7-5-4-6-8-11/h4-8,10H,9,13H2,1-3H3/t12-/m0/s1
InChIKeyUSXPAIXRRGBHAA-LBPRGKRZSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
1-(4-ethenoxyphenyl)-2,3-dimethylbutan-2-amine
CID 142071205
2,2-dimethylpropylbenzene;methanol
CID 157125736
2-amino-1-phenylbutane-2,3-diol
CID 175388454
3-methyl-1,4-diphenylbutane-2,2-diamine
CID 22904156
2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
CID 173157536
4-ethyl-2-methyl-1-phenylhexan-2-amine
CID 82920478
2-(oxiran-2-yl)-1-phenylpropan-2-amine
CID 87554885
[2,2-bis(chloromethyl)-3-methylbutyl]benzene
CID 79447601
(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
CID 70047843
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-1-phenylbutan-2-amine?
The IUPAC name of (2S)-2,3-dimethyl-1-phenylbutan-2-amine (CID 93299297) is (2S)-2,3-dimethyl-1-phenylbutan-2-amine.
What is the SMILES notation for (2S)-2,3-dimethyl-1-phenylbutan-2-amine?
The canonical SMILES for (2S)-2,3-dimethyl-1-phenylbutan-2-amine is CC(C)[C@@](C)(N)Cc1ccccc1.
What is the InChIKey of (2S)-2,3-dimethyl-1-phenylbutan-2-amine?
The InChIKey is USXPAIXRRGBHAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)12(3,13)9-11-7-5-4-6-8-11/h4-8,10H,9,13H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-1-phenylbutan-2-amine?
(2S)-2,3-dimethyl-1-phenylbutan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-1-phenylbutan-2-amine is sourced from PubChem (CID 93299297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).