1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine

C21H21ClN2 — CID 163660607

IUPAC1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine
SMILESNC(NC(Cc1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H21ClN2/c22-19-14-8-7-13-18(19)21(23)24-20(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14,20-21,24H,15,23H2
InChIKeyIUBQVGREQGKEPO-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.87
Rot. Bonds6

About 1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine

1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine (PubChem CID 163660607) has the molecular formula C21H21ClN2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine
PubChem CID163660607
Molecular FormulaC21H21ClN2
Molecular Weight336.87 g/mol
Exact Mass336.14
IUPAC Name1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine
SMILESNC(NC(Cc1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H21ClN2/c22-19-14-8-7-13-18(19)21(23)24-20(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14,20-21,24H,15,23H2
InChIKeyIUBQVGREQGKEPO-UHFFFAOYSA-N
XLogP4.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-1,2-diphenylethanamine
CID 101366117
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
N-(1,2-diphenylethyl)but-3-yn-2-amine
CID 114414977
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193599
1-(2-chlorophenyl)-3-phenylpropan-1-amine
CID 54014885
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
[1-(2-chlorophenyl)-3-phenylpropyl]hydrazine
CID 105205580
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine (CID 163660607) is 1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine is NC(NC(Cc1ccccc1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine?
The InChIKey is IUBQVGREQGKEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2/c22-19-14-8-7-13-18(19)21(23)24-20(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14,20-21,24H,15,23H2.
What are the key properties of 1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine?
1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine has a molecular weight of 336.87 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-(1,2-diphenylethyl)methanediamine is sourced from PubChem (CID 163660607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).