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

C20H27ClN2 — CID 110826249

IUPAC1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CC)C(CNCc1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2/c1-4-23(5-2)20(18-10-12-19(21)13-11-18)15-22-14-17-8-6-16(3)7-9-17/h6-13,20,22H,4-5,14-15H2,1-3H3
InChIKeyCSYVYUNVFCTEPP-UHFFFAOYSA-N
MW330.90 g/mol
LogP4.82
Rot. Bonds8

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

1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 110826249) has the molecular formula C20H27ClN2 and a molecular weight of 330.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID110826249
Molecular FormulaC20H27ClN2
Molecular Weight330.90 g/mol
Exact Mass330.19
IUPAC Name1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CC)C(CNCc1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2/c1-4-23(5-2)20(18-10-12-19(21)13-11-18)15-22-14-17-8-6-16(3)7-9-17/h6-13,20,22H,4-5,14-15H2,1-3H3
InChIKeyCSYVYUNVFCTEPP-UHFFFAOYSA-N
XLogP4.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.90
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine
CID 110826506
1-(4-chlorophenyl)-N,N-diethyl-N'-octylethane-1,2-diamine
CID 110827055
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
1-N-[(4-chlorophenyl)methyl]butane-1,2-diamine
CID 83960586
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
CID 110826595
(1S)-1-(4-chlorophenyl)-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 96563278
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine
CID 110621877
1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62002195

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine (CID 110826249) is 1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine is CCN(CC)C(CNCc1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is CSYVYUNVFCTEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2/c1-4-23(5-2)20(18-10-12-19(21)13-11-18)15-22-14-17-8-6-16(3)7-9-17/h6-13,20,22H,4-5,14-15H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 330.90 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 110826249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).