1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine

C16H27ClN2O — CID 62643008

IUPAC1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCOC)c1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2O/c1-4-10-18-16(9-11-19(2)12-13-20-3)14-5-7-15(17)8-6-14/h5-8,16,18H,4,9-13H2,1-3H3
InChIKeyUEGVAUZSGWTEQU-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.35
Rot. Bonds10

About 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine

1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine (PubChem CID 62643008) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
PubChem CID62643008
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCOC)c1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2O/c1-4-10-18-16(9-11-19(2)12-13-20-3)14-5-7-15(17)8-6-14/h5-8,16,18H,4,9-13H2,1-3H3
InChIKeyUEGVAUZSGWTEQU-UHFFFAOYSA-N
XLogP3.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62617256
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine
CID 63484009
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 82778438
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine
CID 62844664
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine (CID 62643008) is 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CCOC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine?
The InChIKey is UEGVAUZSGWTEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-4-10-18-16(9-11-19(2)12-13-20-3)14-5-7-15(17)8-6-14/h5-8,16,18H,4,9-13H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine has a molecular weight of 298.86 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 62643008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).