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

C17H20ClNO — CID 115483724

IUPAC1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(C)c(C)cc2Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-11-8-15(16(18)9-12(11)2)17(19)10-13-4-6-14(20-3)7-5-13/h4-9,17H,10,19H2,1-3H3
InChIKeyHJBCRLMGCDMZFL-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.21
Rot. Bonds4

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

1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 115483724) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID115483724
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(C)c(C)cc2Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-11-8-15(16(18)9-12(11)2)17(19)10-13-4-6-14(20-3)7-5-13/h4-9,17H,10,19H2,1-3H3
InChIKeyHJBCRLMGCDMZFL-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-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
CID 43561802
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 102763454
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine (CID 115483724) is 1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2cc(C)c(C)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is HJBCRLMGCDMZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-8-15(16(18)9-12(11)2)17(19)10-13-4-6-14(20-3)7-5-13/h4-9,17H,10,19H2,1-3H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine?
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)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-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115483724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).