(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine

C16H18FNO2 — CID 105051988

IUPAC(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCOc1cccc(OC)c1C(N)c1cccc(C)c1F
InChIInChI=1S/C16H18FNO2/c1-10-6-4-7-11(15(10)17)16(18)14-12(19-2)8-5-9-13(14)20-3/h4-9,16H,18H2,1-3H3
InChIKeyNDZTUAGYLFMJCM-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.20
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine

(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine (PubChem CID 105051988) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
PubChem CID105051988
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCOc1cccc(OC)c1C(N)c1cccc(C)c1F
InChIInChI=1S/C16H18FNO2/c1-10-6-4-7-11(15(10)17)16(18)14-12(19-2)8-5-9-13(14)20-3/h4-9,16H,18H2,1-3H3
InChIKeyNDZTUAGYLFMJCM-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

(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301943
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine (CID 105051988) is (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine is COc1cccc(OC)c1C(N)c1cccc(C)c1F.
What is the InChIKey of (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The InChIKey is NDZTUAGYLFMJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10-6-4-7-11(15(10)17)16(18)14-12(19-2)8-5-9-13(14)20-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
(2,6-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 (2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 105051988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).