1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine

C16H18FNO2 — CID 82795419

IUPAC1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cccc(OC)c2OC)c1
InChIInChI=1S/C16H18FNO2/c1-18-10-11-7-8-14(17)13(9-11)12-5-4-6-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3
InChIKeyLKMCBAZKUOGYTQ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.23
Rot. Bonds5

About 1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine

1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 82795419) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine
PubChem CID82795419
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cccc(OC)c2OC)c1
InChIInChI=1S/C16H18FNO2/c1-18-10-11-7-8-14(17)13(9-11)12-5-4-6-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3
InChIKeyLKMCBAZKUOGYTQ-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912
1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 116810918
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
1-[4-[(2,6-dimethoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62450181
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593741
1-[4-(2,3-dimethoxyphenyl)thiophen-2-yl]-N-methylmethanamine
CID 82794066
1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine
CID 82811445
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114746624
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54910277
1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545345

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine (CID 82795419) is 1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2cccc(OC)c2OC)c1.
What is the InChIKey of 1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is LKMCBAZKUOGYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-18-10-11-7-8-14(17)13(9-11)12-5-4-6-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine?
1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 82795419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).