N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine

C17H21ClN2 — CID 106313039

IUPACN'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-13-7-9-14(10-8-13)17(19)12-20(2)11-15-5-3-4-6-16(15)18/h3-10,17H,11-12,19H2,1-2H3
InChIKeyLHDBHOOHGYHMBY-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.78
Rot. Bonds5

About N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine

N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 106313039) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID106313039
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-13-7-9-14(10-8-13)17(19)12-20(2)11-15-5-3-4-6-16(15)18/h3-10,17H,11-12,19H2,1-2H3
InChIKeyLHDBHOOHGYHMBY-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644732
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine
CID 61416822
N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 61420149
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040
1-(2-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644408
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
N'-methyl-1-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892131
3-[(2-chlorophenyl)methyl-methylamino]-2-phenylpropanoic acid
CID 63075087
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695196
1-(2-chlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26515684
N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106313125

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine (CID 106313039) is N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(N)CN(C)Cc2ccccc2Cl)cc1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is LHDBHOOHGYHMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13-7-9-14(10-8-13)17(19)12-20(2)11-15-5-3-4-6-16(15)18/h3-10,17H,11-12,19H2,1-2H3.
What are the key properties of N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106313039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).