(2S,3S)-3-methyl-4,4-diphenylbutan-2-amine

C17H21N — CID 59951948

IUPAC(2S,3S)-3-methyl-4,4-diphenylbutan-2-amine
SMILESC[C@H](N)[C@@H](C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-13(14(2)18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,17H,18H2,1-2H3/t13-,14+/m1/s1
InChIKeyDBSRHOJZZFCTDI-KGLIPLIRSA-N
MW239.36 g/mol
LogP3.80
Rot. Bonds4

About (2S,3S)-3-methyl-4,4-diphenylbutan-2-amine

(2S,3S)-3-methyl-4,4-diphenylbutan-2-amine (PubChem CID 59951948) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S,3S)-3-methyl-4,4-diphenylbutan-2-amine.

Molecular Properties

Compound Name(2S,3S)-3-methyl-4,4-diphenylbutan-2-amine
PubChem CID59951948
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(2S,3S)-3-methyl-4,4-diphenylbutan-2-amine
SMILESC[C@H](N)[C@@H](C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-13(14(2)18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,17H,18H2,1-2H3/t13-,14+/m1/s1
InChIKeyDBSRHOJZZFCTDI-KGLIPLIRSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-bromo-1-phenylpropan-2-amine
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(1S,2R)-2-amino-1-phenylpropan-1-ol
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(3-methyl-1,1-diphenylbutan-2-yl)benzene
CID 91598963
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CID 79574233
1-phenylethylbenzene
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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-4,4-diphenylbutan-2-amine?
The IUPAC name of (2S,3S)-3-methyl-4,4-diphenylbutan-2-amine (CID 59951948) is (2S,3S)-3-methyl-4,4-diphenylbutan-2-amine.
What is the SMILES notation for (2S,3S)-3-methyl-4,4-diphenylbutan-2-amine?
The canonical SMILES for (2S,3S)-3-methyl-4,4-diphenylbutan-2-amine is C[C@H](N)[C@@H](C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-3-methyl-4,4-diphenylbutan-2-amine?
The InChIKey is DBSRHOJZZFCTDI-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H21N/c1-13(14(2)18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,17H,18H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2S,3S)-3-methyl-4,4-diphenylbutan-2-amine?
(2S,3S)-3-methyl-4,4-diphenylbutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-4,4-diphenylbutan-2-amine is sourced from PubChem (CID 59951948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).