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

C16H18FNO — CID 55067518

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2cccc(C)c2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-11-4-3-5-12(8-11)9-16(18)14-7-6-13(19-2)10-15(14)17/h3-8,10,16H,9,18H2,1-2H3
InChIKeyPHKBHQFCHVVPIO-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.39
Rot. Bonds4

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

1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine (PubChem CID 55067518) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
PubChem CID55067518
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2cccc(C)c2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-11-4-3-5-12(8-11)9-16(18)14-7-6-13(19-2)10-15(14)17/h3-8,10,16H,9,18H2,1-2H3
InChIKeyPHKBHQFCHVVPIO-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-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304819
1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067613
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
1-(2-fluoro-4-methoxyphenyl)-2-(furan-3-yl)ethanamine
CID 83182670
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115800392
1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine
CID 107475984
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 61084057
1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine (CID 55067518) is 1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine is COc1ccc(C(N)Cc2cccc(C)c2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is PHKBHQFCHVVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-4-3-5-12(8-11)9-16(18)14-7-6-13(19-2)10-15(14)17/h3-8,10,16H,9,18H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine?
1-(2-fluoro-4-methoxyphenyl)-2-(3-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-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55067518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).