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

C19H25ClN2 — CID 110826595

IUPACN'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H25ClN2/c1-3-22(4-2)19(16-10-6-5-7-11-16)15-21-14-17-12-8-9-13-18(17)20/h5-13,19,21H,3-4,14-15H2,1-2H3
InChIKeyUOIZTEXSYYBDFP-UHFFFAOYSA-N
MW316.88 g/mol
LogP4.51
Rot. Bonds8

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

N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine (PubChem CID 110826595) has the molecular formula C19H25ClN2 and a molecular weight of 316.88 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
PubChem CID110826595
Molecular FormulaC19H25ClN2
Molecular Weight316.88 g/mol
Exact Mass316.17
IUPAC NameN'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H25ClN2/c1-3-22(4-2)19(16-10-6-5-7-11-16)15-21-14-17-12-8-9-13-18(17)20/h5-13,19,21H,3-4,14-15H2,1-2H3
InChIKeyUOIZTEXSYYBDFP-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine
CID 110826506
N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 43758958
N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719878
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 60896560
N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43181795
N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 78992240
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine (CID 110826595) is N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine is CCN(CC)C(CNCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine?
The InChIKey is UOIZTEXSYYBDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2/c1-3-22(4-2)19(16-10-6-5-7-11-16)15-21-14-17-12-8-9-13-18(17)20/h5-13,19,21H,3-4,14-15H2,1-2H3.
What are the key properties of N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine?
N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine has a molecular weight of 316.88 g/mol, XLogP of 4.51, 8 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-diethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 110826595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).