N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

C17H21ClN2 — CID 43181795

IUPACN-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H21ClN2/c1-20(2)13-17(14-8-4-3-5-9-14)19-12-15-10-6-7-11-16(15)18/h3-11,17,19H,12-13H2,1-2H3
InChIKeyKDPFYLHDNVDCKX-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.73
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 43181795) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID43181795
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H21ClN2/c1-20(2)13-17(14-8-4-3-5-9-14)19-12-15-10-6-7-11-16(15)18/h3-11,17,19H,12-13H2,1-2H3
InChIKeyKDPFYLHDNVDCKX-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 103605736
N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740426
N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 66161042
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 61324922
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine
CID 43203759
3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
CID 43181834
N-[(3,5-dimethoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78824238
N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
CID 110826595
N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 114554849

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 43181795) is N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is CN(C)CC(NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is KDPFYLHDNVDCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-20(2)13-17(14-8-4-3-5-9-14)19-12-15-10-6-7-11-16(15)18/h3-11,17,19H,12-13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 3.73, 6 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',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43181795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).