1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine

C15H25ClN2 — CID 62643420

IUPAC1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCC(NCC)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-4-11-18(3)12-10-15(17-5-2)13-6-8-14(16)9-7-13/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyADYWNAJYFKNSKI-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.72
Rot. Bonds8

About 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine

1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine (PubChem CID 62643420) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
PubChem CID62643420
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCC(NCC)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-4-11-18(3)12-10-15(17-5-2)13-6-8-14(16)9-7-13/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyADYWNAJYFKNSKI-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62644843
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine
CID 63484009
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 55186414
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine (CID 62643420) is 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine is CCCN(C)CCC(NCC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is ADYWNAJYFKNSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-11-18(3)12-10-15(17-5-2)13-6-8-14(16)9-7-13/h6-9,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine?
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.72, 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-ethyl-N'-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62643420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).