[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine

C15H16FNO2 — CID 116810937

IUPAC[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
SMILESCOc1cccc(OC)c1-c1ccc(CN)cc1F
InChIInChI=1S/C15H16FNO2/c1-18-13-4-3-5-14(19-2)15(13)11-7-6-10(9-17)8-12(11)16/h3-8H,9,17H2,1-2H3
InChIKeyQMEOCGNYTIFKQE-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.97
Rot. Bonds4

About [4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine

[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine (PubChem CID 116810937) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
PubChem CID116810937
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
SMILESCOc1cccc(OC)c1-c1ccc(CN)cc1F
InChIInChI=1S/C15H16FNO2/c1-18-13-4-3-5-14(19-2)15(13)11-7-6-10(9-17)8-12(11)16/h3-8H,9,17H2,1-2H3
InChIKeyQMEOCGNYTIFKQE-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
CID 81446738
1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 116810918
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine
CID 61032743
[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine
CID 173141464
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
[3-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 61291113
[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine
CID 81441338
[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine
CID 114275253
[3-methoxy-4-(2-methylphenyl)phenyl]methanamine
CID 154814905

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine (CID 116810937) is [4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine is COc1cccc(OC)c1-c1ccc(CN)cc1F.
What is the InChIKey of [4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine?
The InChIKey is QMEOCGNYTIFKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-13-4-3-5-14(19-2)15(13)11-7-6-10(9-17)8-12(11)16/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine?
[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 116810937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).