N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine

C17H21ClN2O — CID 61415124

IUPACN-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(C(CN)N(C)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H21ClN2O/c1-20(12-13-6-8-15(18)9-7-13)17(11-19)14-4-3-5-16(10-14)21-2/h3-10,17H,11-12,19H2,1-2H3
InChIKeyWDAAWZJJLSSRCD-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.48
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine

N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 61415124) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID61415124
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(C(CN)N(C)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H21ClN2O/c1-20(12-13-6-8-15(18)9-7-13)17(11-19)14-4-3-5-16(10-14)21-2/h3-10,17H,11-12,19H2,1-2H3
InChIKeyWDAAWZJJLSSRCD-UHFFFAOYSA-N
XLogP3.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412
1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 55141844
2-(4-chlorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023304
N-[(3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61419943
1-(3-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60871994
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 61414691
1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 61453536
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine (CID 61415124) is N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine is COc1cccc(C(CN)N(C)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is WDAAWZJJLSSRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-20(12-13-6-8-15(18)9-7-13)17(11-19)14-4-3-5-16(10-14)21-2/h3-10,17H,11-12,19H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 304.82 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 61415124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).