(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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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).