1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine

C17H20ClNO — CID 62795601

IUPAC1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-3-11-20-16-9-7-13(8-10-16)17(19-2)14-5-4-6-15(18)12-14/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyFHKGJHNCJFJSKP-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.44
Rot. Bonds6

About 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine

1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine (PubChem CID 62795601) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
PubChem CID62795601
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-3-11-20-16-9-7-13(8-10-16)17(19-2)14-5-4-6-15(18)12-14/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyFHKGJHNCJFJSKP-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine 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-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107945718
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107993035
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853395
1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811779
1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482400
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526
[(3-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105194775
N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
CID 115853275
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine (CID 62795601) is 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The InChIKey is FHKGJHNCJFJSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-11-20-16-9-7-13(8-10-16)17(19-2)14-5-4-6-15(18)12-14/h4-10,12,17,19H,3,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine has a molecular weight of 289.81 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 62795601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).