N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine

C16H27ClN2 — CID 62260740

IUPACN-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2/c1-5-16(6-2,12-18-3)13-19(4)11-14-7-9-15(17)10-8-14/h7-10,18H,5-6,11-13H2,1-4H3
InChIKeyKQSIQIRKNCBDAV-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.80
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine

N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine (PubChem CID 62260740) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
PubChem CID62260740
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC NameN-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2/c1-5-16(6-2,12-18-3)13-19(4)11-14-7-9-15(17)10-8-14/h7-10,18H,5-6,11-13H2,1-4H3
InChIKeyKQSIQIRKNCBDAV-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 55051728
1-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62836356
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 61414760
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 61415050
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 71037021
3-[(4-chlorophenyl)methyl-methylamino]-2,2-dimethylpropanal
CID 62278141
2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62272643
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088980
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024794
4-[(4-chlorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
CID 66453591
N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62411299

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine (CID 62260740) is N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine is CCC(CC)(CNC)CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is KQSIQIRKNCBDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-5-16(6-2,12-18-3)13-19(4)11-14-7-9-15(17)10-8-14/h7-10,18H,5-6,11-13H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine?
N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 282.86 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62260740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).