1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine

C14H23ClN2 — CID 62643562

IUPAC1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-4-17(5-2)11-10-14(16-3)12-6-8-13(15)9-7-12/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyHSWMDRNYIRPWRX-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.33
Rot. Bonds7

About 1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine

1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine (PubChem CID 62643562) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
PubChem CID62643562
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-4-17(5-2)11-10-14(16-3)12-6-8-13(15)9-7-12/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyHSWMDRNYIRPWRX-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
N-[1-(4-chlorophenyl)butyl]-N',N'-diethylpropane-1,3-diamine
CID 43102215
1-(4-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62645380
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62645417
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79086657
N-chloro-N',N'-diethyl-1-phenylpropane-1,3-diamine
CID 23557495

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine (CID 62643562) is 1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine is CCN(CC)CCC(NC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The InChIKey is HSWMDRNYIRPWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-17(5-2)11-10-14(16-3)12-6-8-13(15)9-7-12/h6-9,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.33, 7 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-methylpropane-1,3-diamine is sourced from PubChem (CID 62643562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).