1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine

C16H19ClN2 — CID 65193599

IUPAC1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCC(NC(CN)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H19ClN2/c1-12(13-7-3-2-4-8-13)19-16(11-18)14-9-5-6-10-15(14)17/h2-10,12,16,19H,11,18H2,1H3
InChIKeyYYVDCYAZHHOWKQ-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.69
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine

1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine (PubChem CID 65193599) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
PubChem CID65193599
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCC(NC(CN)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H19ClN2/c1-12(13-7-3-2-4-8-13)19-16(11-18)14-9-5-6-10-15(14)17/h2-10,12,16,19H,11,18H2,1H3
InChIKeyYYVDCYAZHHOWKQ-UHFFFAOYSA-N
XLogP3.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 114843231
1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912678
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755726
1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193661
1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193818
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 62980189
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine (CID 65193599) is 1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine is CC(NC(CN)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
The InChIKey is YYVDCYAZHHOWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12(13-7-3-2-4-8-13)19-16(11-18)14-9-5-6-10-15(14)17/h2-10,12,16,19H,11,18H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine?
1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 3.69, 5 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-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 65193599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).