N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine

C19H25ClN2O — CID 20766140

IUPACN'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)Cc2ccccc2)cc1Cl
InChIInChI=1S/C19H25ClN2O/c1-21(2)11-12-22(14-16-7-5-4-6-8-16)15-17-9-10-19(23-3)18(20)13-17/h4-10,13H,11-12,14-15H2,1-3H3
InChIKeyDMNMKOTVGRBXJD-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.91
Rot. Bonds8

About N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine

N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 20766140) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID20766140
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC NameN'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)Cc2ccccc2)cc1Cl
InChIInChI=1S/C19H25ClN2O/c1-21(2)11-12-22(14-16-7-5-4-6-8-16)15-17-9-10-19(23-3)18(20)13-17/h4-10,13H,11-12,14-15H2,1-3H3
InChIKeyDMNMKOTVGRBXJD-UHFFFAOYSA-N
XLogP3.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 20766137
2-[carboxymethyl-[(3-chloro-4-methoxyphenyl)methyl]amino]acetic acid
CID 65065887
1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263145
2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol
CID 62114410
2-chloro-4-[[3-(dimethylamino)propyl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
CID 142098899
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43817991
3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile
CID 20628499
N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
CID 70821309
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 20766140) is N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine is COc1ccc(CN(CCN(C)C)Cc2ccccc2)cc1Cl.
What is the InChIKey of N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is DMNMKOTVGRBXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-21(2)11-12-22(14-16-7-5-4-6-8-16)15-17-9-10-19(23-3)18(20)13-17/h4-10,13H,11-12,14-15H2,1-3H3.
What are the key properties of N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 332.88 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 20766140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).