1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine

C16H18FNO — CID 61078516

IUPAC1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1ccc(C)c(F)c1
InChIInChI=1S/C16H18FNO/c1-11-7-8-12(9-14(11)17)15(18)10-13-5-3-4-6-16(13)19-2/h3-9,15H,10,18H2,1-2H3
InChIKeyYVWSZSLNTNHZKP-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.39
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine

1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 61078516) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
PubChem CID61078516
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1ccc(C)c(F)c1
InChIInChI=1S/C16H18FNO/c1-11-7-8-12(9-14(11)17)15(18)10-13-5-3-4-6-16(13)19-2/h3-9,15H,10,18H2,1-2H3
InChIKeyYVWSZSLNTNHZKP-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)ethanamine
CID 43318134
2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105020500
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene
CID 63440149
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine (CID 61078516) is 1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CC(N)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is YVWSZSLNTNHZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-7-8-12(9-14(11)17)15(18)10-13-5-3-4-6-16(13)19-2/h3-9,15H,10,18H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine?
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 61078516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).