(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine

C16H18FNO3 — CID 43589009

IUPAC(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C16H18FNO3/c1-19-13-9-8-12(15(20-2)16(13)21-3)14(18)10-4-6-11(17)7-5-10/h4-9,14H,18H2,1-3H3
InChIKeyZYDXTYDAKAGGJE-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.90
Rot. Bonds5

About (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine

(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 43589009) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID43589009
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C16H18FNO3/c1-19-13-9-8-12(15(20-2)16(13)21-3)14(18)10-4-6-11(17)7-5-10/h4-9,14H,18H2,1-3H3
InChIKeyZYDXTYDAKAGGJE-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine
CID 24688997
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 116936753
(5-bromothiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 107960853
(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150760
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142755
1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene
CID 174534861
(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43588995
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 102840906
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 171247035

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine (CID 43589009) is (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(F)cc2)c(OC)c1OC.
What is the InChIKey of (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is ZYDXTYDAKAGGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-19-13-9-8-12(15(20-2)16(13)21-3)14(18)10-4-6-11(17)7-5-10/h4-9,14H,18H2,1-3H3.
What are the key properties of (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine?
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 291.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 43589009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).