1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine

C17H20ClNO — CID 62790432

IUPAC1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1C(C)(N)c1ccc(C)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-11-5-6-13(9-12(11)2)17(3,19)15-10-14(18)7-8-16(15)20-4/h5-10H,19H2,1-4H3
InChIKeyWMPZSRBRMGODMG-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.19
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine

1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine (PubChem CID 62790432) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
PubChem CID62790432
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1C(C)(N)c1ccc(C)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-11-5-6-13(9-12(11)2)17(3,19)15-10-14(18)7-8-16(15)20-4/h5-10H,19H2,1-4H3
InChIKeyWMPZSRBRMGODMG-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine
CID 62801327
1-(5-chloro-2-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 62787429
(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine
CID 130684058
2-(5-chloro-2-methoxyphenyl)propane-2-thiol
CID 116866548
1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 103395200
1-(2,4-dichloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62794899
4-(5-chloro-2-methoxyphenyl)heptan-4-amine
CID 54886842
1-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)ethanol
CID 62786766
1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine
CID 62791102
1-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanamine
CID 62787808
1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine
CID 107559750
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine (CID 62790432) is 1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine is COc1ccc(Cl)cc1C(C)(N)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine?
The InChIKey is WMPZSRBRMGODMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-5-6-13(9-12(11)2)17(3,19)15-10-14(18)7-8-16(15)20-4/h5-10H,19H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine?
1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 62790432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).