1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine

C18H22ClNO — CID 115853389

IUPAC1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C18H22ClNO/c1-4-11-21-16-9-6-14(7-10-16)18(20-3)17-12-15(19)8-5-13(17)2/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyGGWZHNRUEKZPIB-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.75
Rot. Bonds6

About 1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine

1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine (PubChem CID 115853389) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
PubChem CID115853389
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C18H22ClNO/c1-4-11-21-16-9-6-14(7-10-16)18(20-3)17-12-15(19)8-5-13(17)2/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyGGWZHNRUEKZPIB-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-methylphenyl)-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

(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
CID 115853390
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107993035
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853395
1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 82883588
[(2,5-dimethylphenyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105303653
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107945718
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(4-ethoxyphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990532
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine (CID 115853389) is 1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The InChIKey is GGWZHNRUEKZPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-11-21-16-9-6-14(7-10-16)18(20-3)17-12-15(19)8-5-13(17)2/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine has a molecular weight of 303.83 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 115853389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).