1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine

C17H20ClNO — CID 105024725

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
SMILESCOc1cc(Cl)ccc1C(N)Cc1c(C)cccc1C
InChIInChI=1S/C17H20ClNO/c1-11-5-4-6-12(2)15(11)10-16(19)14-8-7-13(18)9-17(14)20-3/h4-9,16H,10,19H2,1-3H3
InChIKeyFQJRUBZGFDLJLP-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.21
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine

1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine (PubChem CID 105024725) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
PubChem CID105024725
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
SMILESCOc1cc(Cl)ccc1C(N)Cc1c(C)cccc1C
InChIInChI=1S/C17H20ClNO/c1-11-5-4-6-12(2)15(11)10-16(19)14-8-7-13(18)9-17(14)20-3/h4-9,16H,10,19H2,1-3H3
InChIKeyFQJRUBZGFDLJLP-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105024568
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107309207
1-(4-chloro-2-methoxyphenyl)-2-methoxyethanamine
CID 112693324
1-(2,3-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105174573
2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine
CID 115824040
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791439
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
2-(2,6-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106791042
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine (CID 105024725) is 1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine is COc1cc(Cl)ccc1C(N)Cc1c(C)cccc1C.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine?
The InChIKey is FQJRUBZGFDLJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-5-4-6-12(2)15(11)10-16(19)14-8-7-13(18)9-17(14)20-3/h4-9,16H,10,19H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine?
1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 105024725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).