1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

C19H24FNO4 — CID 47010201

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(OC)c(OC)c2OC)cc1F
InChIInChI=1S/C19H24FNO4/c1-12(13-6-8-16(22-2)15(20)10-13)21-11-14-7-9-17(23-3)19(25-5)18(14)24-4/h6-10,12,21H,11H2,1-5H3
InChIKeyPGVNAYOLBOJYIK-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.71
Rot. Bonds8

About 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (PubChem CID 47010201) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
PubChem CID47010201
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(OC)c(OC)c2OC)cc1F
InChIInChI=1S/C19H24FNO4/c1-12(13-6-8-16(22-2)15(20)10-13)21-11-14-7-9-17(23-3)19(25-5)18(14)24-4/h6-10,12,21H,11H2,1-5H3
InChIKeyPGVNAYOLBOJYIK-UHFFFAOYSA-N
XLogP3.71
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 30620479
N-[(4-chloro-2-methylphenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 104853881
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
N-[(2-bromo-5-chlorophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 66159340
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324555
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115897048
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230891
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225812

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (CID 47010201) is 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is COc1ccc(C(C)NCc2ccc(OC)c(OC)c2OC)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is PGVNAYOLBOJYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO4/c1-12(13-6-8-16(22-2)15(20)10-13)21-11-14-7-9-17(23-3)19(25-5)18(14)24-4/h6-10,12,21H,11H2,1-5H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 349.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 47010201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).