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

C16H18FNO — CID 61078688

IUPAC1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H18FNO/c1-11-6-7-13(10-15(11)17)16(18)9-12-4-3-5-14(8-12)19-2/h3-8,10,16H,9,18H2,1-2H3
InChIKeyQVWYRNUQVWQOFK-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.39
Rot. Bonds4

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

1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 61078688) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
PubChem CID61078688
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H18FNO/c1-11-6-7-13(10-15(11)17)16(18)9-12-4-3-5-14(8-12)19-2/h3-8,10,16H,9,18H2,1-2H3
InChIKeyQVWYRNUQVWQOFK-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

4-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63543522
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 82814680
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
2-(3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155644
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466
2-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine (CID 61078688) is 1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine is COc1cccc(CC(N)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is QVWYRNUQVWQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-6-7-13(10-15(11)17)16(18)9-12-4-3-5-14(8-12)19-2/h3-8,10,16H,9,18H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine?
1-(3-fluoro-4-methylphenyl)-2-(3-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-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 61078688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).