[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine

C16H18FNO3 — CID 61032743

IUPAC[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine
SMILESCOc1cc(OC)c(-c2cc(CN)ccc2F)c(OC)c1
InChIInChI=1S/C16H18FNO3/c1-19-11-7-14(20-2)16(15(8-11)21-3)12-6-10(9-18)4-5-13(12)17/h4-8H,9,18H2,1-3H3
InChIKeyNJOLPFQXBUAIDI-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.98
Rot. Bonds5

About [4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine

[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine (PubChem CID 61032743) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is [4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine
PubChem CID61032743
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine
SMILESCOc1cc(OC)c(-c2cc(CN)ccc2F)c(OC)c1
InChIInChI=1S/C16H18FNO3/c1-19-11-7-14(20-2)16(15(8-11)21-3)12-6-10(9-18)4-5-13(12)17/h4-8H,9,18H2,1-3H3
InChIKeyNJOLPFQXBUAIDI-UHFFFAOYSA-N
XLogP2.98
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910780
[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine
CID 103523744
[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 116810937
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline
CID 107602929
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
CID 66479632
[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
CID 81446738
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine (CID 61032743) is [4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine is COc1cc(OC)c(-c2cc(CN)ccc2F)c(OC)c1.
What is the InChIKey of [4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine?
The InChIKey is NJOLPFQXBUAIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-19-11-7-14(20-2)16(15(8-11)21-3)12-6-10(9-18)4-5-13(12)17/h4-8H,9,18H2,1-3H3.
What are the key properties of [4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine?
[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine has a molecular weight of 291.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine is sourced from PubChem (CID 61032743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).