[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine

C15H16FNO — CID 54910100

IUPAC[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
SMILESCOc1ccc(-c2cc(CN)ccc2F)cc1C
InChIInChI=1S/C15H16FNO/c1-10-7-12(4-6-15(10)18-2)13-8-11(9-17)3-5-14(13)16/h3-8H,9,17H2,1-2H3
InChIKeyAOQVQLZMFRGAAY-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.27
Rot. Bonds3

About [4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine

[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine (PubChem CID 54910100) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
PubChem CID54910100
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
SMILESCOc1ccc(-c2cc(CN)ccc2F)cc1C
InChIInChI=1S/C15H16FNO/c1-10-7-12(4-6-15(10)18-2)13-8-11(9-17)3-5-14(13)16/h3-8H,9,17H2,1-2H3
InChIKeyAOQVQLZMFRGAAY-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine
CID 61032743
2-[3-(3,4-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82107025
[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine
CID 103523744
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397
[3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910780
(4-fluoro-3-naphthalen-2-ylphenyl)methanamine
CID 54912183
[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
CID 54911954
[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride
CID 168665262
[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine (CID 54910100) is [4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine is COc1ccc(-c2cc(CN)ccc2F)cc1C.
What is the InChIKey of [4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine?
The InChIKey is AOQVQLZMFRGAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-7-12(4-6-15(10)18-2)13-8-11(9-17)3-5-14(13)16/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine?
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine has a molecular weight of 245.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine is sourced from PubChem (CID 54910100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).