(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine

C16H17F2NO2 — CID 105013679

IUPAC(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2c(F)ccc(C)c2F)c1
InChIInChI=1S/C16H17F2NO2/c1-9-4-5-13(17)14(15(9)18)16(19)10-6-11(20-2)8-12(7-10)21-3/h4-8,16H,19H2,1-3H3
InChIKeyFZBXAOVIVWTCPS-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.34
Rot. Bonds4

About (2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine

(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine (PubChem CID 105013679) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
PubChem CID105013679
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2c(F)ccc(C)c2F)c1
InChIInChI=1S/C16H17F2NO2/c1-9-4-5-13(17)14(15(9)18)16(19)10-6-11(20-2)8-12(7-10)21-3/h4-8,16H,19H2,1-3H3
InChIKeyFZBXAOVIVWTCPS-UHFFFAOYSA-N
XLogP3.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
2-[chloro-(2,6-difluoro-4-methoxyphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82799527
(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822372
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240
(3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine
CID 106942165
(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814873
(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896
1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 82814680
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine (CID 105013679) is (2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine is COc1cc(OC)cc(C(N)c2c(F)ccc(C)c2F)c1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine?
The InChIKey is FZBXAOVIVWTCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-9-4-5-13(17)14(15(9)18)16(19)10-6-11(20-2)8-12(7-10)21-3/h4-8,16H,19H2,1-3H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine?
(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine has a molecular weight of 293.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 105013679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).