N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine

C18H23ClN2 — CID 62980189

IUPACN'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
SMILESCC(c1ccccc1Cl)N(C)CC(CN)c1ccccc1
InChIInChI=1S/C18H23ClN2/c1-14(17-10-6-7-11-18(17)19)21(2)13-16(12-20)15-8-4-3-5-9-15/h3-11,14,16H,12-13,20H2,1-2H3
InChIKeyIKMFIUORAWJDTR-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.08
Rot. Bonds6

About N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine

N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine (PubChem CID 62980189) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
PubChem CID62980189
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
SMILESCC(c1ccccc1Cl)N(C)CC(CN)c1ccccc1
InChIInChI=1S/C18H23ClN2/c1-14(17-10-6-7-11-18(17)19)21(2)13-16(12-20)15-8-4-3-5-9-15/h3-11,14,16H,12-13,20H2,1-2H3
InChIKeyIKMFIUORAWJDTR-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070244
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193599
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62984016
1-(2-chlorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657428
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine (CID 62980189) is N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine is CC(c1ccccc1Cl)N(C)CC(CN)c1ccccc1.
What is the InChIKey of N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine?
The InChIKey is IKMFIUORAWJDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-14(17-10-6-7-11-18(17)19)21(2)13-16(12-20)15-8-4-3-5-9-15/h3-11,14,16H,12-13,20H2,1-2H3.
What are the key properties of N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine?
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine has a molecular weight of 302.85 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 62980189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).