(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine

C16H18FNO2 — CID 105142755

IUPAC(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(F)cc2C)c1OC
InChIInChI=1S/C16H18FNO2/c1-10-9-11(17)7-8-12(10)15(18)13-5-4-6-14(19-2)16(13)20-3/h4-9,15H,18H2,1-3H3
InChIKeyQAIAANHUJDQDLF-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.20
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine

(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 105142755) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine
PubChem CID105142755
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(F)cc2C)c1OC
InChIInChI=1S/C16H18FNO2/c1-10-9-11(17)7-8-12(10)15(18)13-5-4-6-14(19-2)16(13)20-3/h4-9,15H,18H2,1-3H3
InChIKeyQAIAANHUJDQDLF-UHFFFAOYSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 82106214
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43589009
(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
CID 171218765
(1S)-1-(2,3-dimethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66510258
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098958
[(2-fluoro-6-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105252432

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine (CID 105142755) is (2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine is COc1cccc(C(N)c2ccc(F)cc2C)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is QAIAANHUJDQDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10-9-11(17)7-8-12(10)15(18)13-5-4-6-14(19-2)16(13)20-3/h4-9,15H,18H2,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine?
(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 275.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 105142755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).