(2S)-1,1-diphenylpropane-1,2-diamine

C15H18N2 — CID 11172185

IUPAC(2S)-1,1-diphenylpropane-1,2-diamine
SMILESC[C@H](N)C(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,16-17H2,1H3/t12-/m0/s1
InChIKeyOWUQWDCZCOJEKU-LBPRGKRZSA-N
MW226.32 g/mol
LogP2.24
Rot. Bonds3

About (2S)-1,1-diphenylpropane-1,2-diamine

(2S)-1,1-diphenylpropane-1,2-diamine (PubChem CID 11172185) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-1,1-diphenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1,1-diphenylpropane-1,2-diamine
PubChem CID11172185
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(2S)-1,1-diphenylpropane-1,2-diamine
SMILESC[C@H](N)C(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,16-17H2,1H3/t12-/m0/s1
InChIKeyOWUQWDCZCOJEKU-LBPRGKRZSA-N
XLogP2.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenylbutane-2,3-diamine
CID 175403934
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
(2R)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 134991044
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 58794752
3-methyl-1,1,1-triphenylbutan-2-amine
CID 67050578
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
2-N,2-N,2-triphenylbutane-2,3-diamine
CID 67601655
1,1-diphenylethanamine
CID 12761172
2-benzhydryl-1,1-diphenylbutane-2,3-diamine
CID 175268685
3-amino-2-fluoro-2-phenylbutanoic acid
CID 67114338
4-amino-3-bromo-3-phenylpentan-2-one
CID 174845533

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-diphenylpropane-1,2-diamine?
The IUPAC name of (2S)-1,1-diphenylpropane-1,2-diamine (CID 11172185) is (2S)-1,1-diphenylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1,1-diphenylpropane-1,2-diamine?
The canonical SMILES for (2S)-1,1-diphenylpropane-1,2-diamine is C[C@H](N)C(N)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1,1-diphenylpropane-1,2-diamine?
The InChIKey is OWUQWDCZCOJEKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,16-17H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1,1-diphenylpropane-1,2-diamine?
(2S)-1,1-diphenylpropane-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-diphenylpropane-1,2-diamine is sourced from PubChem (CID 11172185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).