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

C17H21ClN2O — CID 62630981

IUPAC1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
SMILESCOc1ccc(N(C)CCC(N)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H21ClN2O/c1-20(15-6-8-16(21-2)9-7-15)11-10-17(19)13-4-3-5-14(18)12-13/h3-9,12,17H,10-11,19H2,1-2H3
InChIKeyAFPVAWINDQPSEI-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.87
Rot. Bonds6

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

1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 62630981) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
PubChem CID62630981
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
SMILESCOc1ccc(N(C)CCC(N)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H21ClN2O/c1-20(15-6-8-16(21-2)9-7-15)11-10-17(19)13-4-3-5-14(18)12-13/h3-9,12,17H,10-11,19H2,1-2H3
InChIKeyAFPVAWINDQPSEI-UHFFFAOYSA-N
XLogP3.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-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-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62623125
4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol
CID 62630754
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625223
1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62628937
N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630979
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55098411
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630281
1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093670
1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520687

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine (CID 62630981) is 1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine is COc1ccc(N(C)CCC(N)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is AFPVAWINDQPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-20(15-6-8-16(21-2)9-7-15)11-10-17(19)13-4-3-5-14(18)12-13/h3-9,12,17H,10-11,19H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 304.82 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62630981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).