[2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine

C17H20FNO2 — CID 106882238

IUPAC[2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)c(-c2c(C)cc(C)cc2F)cc1OC
InChIInChI=1S/C17H20FNO2/c1-10-5-11(2)17(14(18)6-10)13-8-16(21-4)15(20-3)7-12(13)9-19/h5-8H,9,19H2,1-4H3
InChIKeyHCEUNIVLUGRRAC-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.59
Rot. Bonds4

About [2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine

[2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine (PubChem CID 106882238) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is [2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
PubChem CID106882238
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name[2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)c(-c2c(C)cc(C)cc2F)cc1OC
InChIInChI=1S/C17H20FNO2/c1-10-5-11(2)17(14(18)6-10)13-8-16(21-4)15(20-3)7-12(13)9-19/h5-8H,9,19H2,1-4H3
InChIKeyHCEUNIVLUGRRAC-UHFFFAOYSA-N
XLogP3.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 81047763
[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61241607
[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105350062
[2-(2-chloro-4,5-difluorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 107476915
[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62548525
[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
CID 104738859
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
2-(aminomethyl)-4-methoxy-5-methylphenol
CID 67518615
[5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine
CID 66157888
(3-methoxy-2,5-dimethylphenyl)methanamine
CID 119023643
[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
CID 106681165
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine?
The IUPAC name of [2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine (CID 106882238) is [2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine?
The canonical SMILES for [2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine is COc1cc(CN)c(-c2c(C)cc(C)cc2F)cc1OC.
What is the InChIKey of [2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine?
The InChIKey is HCEUNIVLUGRRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-10-5-11(2)17(14(18)6-10)13-8-16(21-4)15(20-3)7-12(13)9-19/h5-8H,9,19H2,1-4H3.
What are the key properties of [2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine?
[2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine has a molecular weight of 289.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine is sourced from PubChem (CID 106882238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).