(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine

C16H20N2 — CID 112736608

IUPAC(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
SMILESC[C@H](N)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H20N2/c1-13(17)12-18-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,18H,11-12,17H2,1H3/t13-/m0/s1
InChIKeyMKZVWGXFEXASQM-ZDUSSCGKSA-N
MW240.35 g/mol
LogP3.04
Rot. Bonds5

About (2S)-1-N-(2-benzylphenyl)propane-1,2-diamine

(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine (PubChem CID 112736608) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-1-N-(2-benzylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
PubChem CID112736608
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
SMILESC[C@H](N)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H20N2/c1-13(17)12-18-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,18H,11-12,17H2,1H3/t13-/m0/s1
InChIKeyMKZVWGXFEXASQM-ZDUSSCGKSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60884761
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N'-(2-benzylphenyl)-2-propylpropane-1,3-diamine
CID 65232660
2-benzyl-N-propan-2-ylaniline
CID 13262632
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
2-benzyl-N-pentan-3-ylaniline
CID 29272087
2-(2-benzylanilino)propanenitrile
CID 54941633
2-benzyl-N-pent-3-ynylaniline
CID 104806026
N-(2-benzylphenyl)hydroxylamine
CID 3014197
N-(2-benzylphenyl)thiohydroxylamine
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(2-benzylphenyl)propane-1,2-diamine?
The IUPAC name of (2S)-1-N-(2-benzylphenyl)propane-1,2-diamine (CID 112736608) is (2S)-1-N-(2-benzylphenyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(2-benzylphenyl)propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(2-benzylphenyl)propane-1,2-diamine is C[C@H](N)CNc1ccccc1Cc1ccccc1.
What is the InChIKey of (2S)-1-N-(2-benzylphenyl)propane-1,2-diamine?
The InChIKey is MKZVWGXFEXASQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2/c1-13(17)12-18-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,18H,11-12,17H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-N-(2-benzylphenyl)propane-1,2-diamine?
(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(2-benzylphenyl)propane-1,2-diamine is sourced from PubChem (CID 112736608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).