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

C16H18FNO — CID 81284853

IUPAC1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc(C)cc2)ccc1F
InChIInChI=1S/C16H18FNO/c1-11-3-5-12(6-4-11)9-15(18)13-7-8-14(17)16(10-13)19-2/h3-8,10,15H,9,18H2,1-2H3
InChIKeyOXFTXGHMXIGQOX-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.39
Rot. Bonds4

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

1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine (PubChem CID 81284853) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
PubChem CID81284853
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc(C)cc2)ccc1F
InChIInChI=1S/C16H18FNO/c1-11-3-5-12(6-4-11)9-15(18)13-7-8-14(17)16(10-13)19-2/h3-8,10,15H,9,18H2,1-2H3
InChIKeyOXFTXGHMXIGQOX-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-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284003
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
(1R)-1-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
3-amino-3-(4-fluoro-3-methoxyphenyl)propanenitrile
CID 55297807
(4S)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol
CID 171225472
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171205896
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine (CID 81284853) is 1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine is COc1cc(C(N)Cc2ccc(C)cc2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine?
The InChIKey is OXFTXGHMXIGQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-3-5-12(6-4-11)9-15(18)13-7-8-14(17)16(10-13)19-2/h3-8,10,15H,9,18H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine?
1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)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-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81284853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).