2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine

C17H20FNO2 — CID 62790885

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(F)cc2C)cc1OC
InChIInChI=1S/C17H20FNO2/c1-11-8-13(18)5-6-14(11)15(19)9-12-4-7-16(20-2)17(10-12)21-3/h4-8,10,15H,9,19H2,1-3H3
InChIKeyCOVWFWOTJXHMPK-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.39
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine

2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 62790885) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID62790885
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(F)cc2C)cc1OC
InChIInChI=1S/C17H20FNO2/c1-11-8-13(18)5-6-14(11)15(19)9-12-4-7-16(20-2)17(10-12)21-3/h4-8,10,15H,9,19H2,1-3H3
InChIKeyCOVWFWOTJXHMPK-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829625
1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 61078831
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279482
1-(2-bromo-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829871
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-1-methylbenzene
CID 63049684
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 62791571
2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105050993
1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62539465
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1,4-difluorobenzene
CID 61084129

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine (CID 62790885) is 2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine is COc1ccc(CC(N)c2ccc(F)cc2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is COVWFWOTJXHMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11-8-13(18)5-6-14(11)15(19)9-12-4-7-16(20-2)17(10-12)21-3/h4-8,10,15H,9,19H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 62790885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).