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

C16H18FNO2 — CID 81477695

IUPAC(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(C)c2F)c(OC)c1
InChIInChI=1S/C16H18FNO2/c1-10-5-4-6-13(15(10)17)16(18)12-8-7-11(19-2)9-14(12)20-3/h4-9,16H,18H2,1-3H3
InChIKeyYKZISGXZZVVOBP-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.20
Rot. Bonds4

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

(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine (PubChem CID 81477695) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
PubChem CID81477695
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(C)c2F)c(OC)c1
InChIInChI=1S/C16H18FNO2/c1-10-5-4-6-13(15(10)17)16(18)12-8-7-11(19-2)9-14(12)20-3/h4-9,16H,18H2,1-3H3
InChIKeyYKZISGXZZVVOBP-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

(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(2,4-dimethoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877206
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 105051988
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(2,4-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 62801966
[(2,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]hydrazine
CID 105305140
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477237

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine (CID 81477695) is (2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine is COc1ccc(C(N)c2cccc(C)c2F)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The InChIKey is YKZISGXZZVVOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10-5-4-6-13(15(10)17)16(18)12-8-7-11(19-2)9-14(12)20-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
(2,4-dimethoxyphenyl)-(2-fluoro-3-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 (2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 81477695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).