1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine

C18H23ClN2 — CID 62984016

IUPAC1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine
SMILESCC(c1ccccc1Cl)N(C)CC(C)(N)c1ccccc1
InChIInChI=1S/C18H23ClN2/c1-14(16-11-7-8-12-17(16)19)21(3)13-18(2,20)15-9-5-4-6-10-15/h4-12,14H,13,20H2,1-3H3
InChIKeyOAQDJTNBWLFDFO-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.21
Rot. Bonds5

About 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine

1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine (PubChem CID 62984016) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine
PubChem CID62984016
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine
SMILESCC(c1ccccc1Cl)N(C)CC(C)(N)c1ccccc1
InChIInChI=1S/C18H23ClN2/c1-14(16-11-7-8-12-17(16)19)21(3)13-18(2,20)15-9-5-4-6-10-15/h4-12,14H,13,20H2,1-3H3
InChIKeyOAQDJTNBWLFDFO-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
4-[1-(2-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455427
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494911
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
CID 62487909
N'-[1-(2-chlorophenyl)ethyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106708082
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 62980189
1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropane-1,2-diamine
CID 112660985

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine (CID 62984016) is 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine is CC(c1ccccc1Cl)N(C)CC(C)(N)c1ccccc1.
What is the InChIKey of 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine?
The InChIKey is OAQDJTNBWLFDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-14(16-11-7-8-12-17(16)19)21(3)13-18(2,20)15-9-5-4-6-10-15/h4-12,14H,13,20H2,1-3H3.
What are the key properties of 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine?
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine has a molecular weight of 302.85 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 62984016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).