[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine

C15H16FNO2 — CID 82106998

IUPAC[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine
SMILESCOc1cc(-c2cccc(F)c2)cc(CN)c1OC
InChIInChI=1S/C15H16FNO2/c1-18-14-8-11(6-12(9-17)15(14)19-2)10-4-3-5-13(16)7-10/h3-8H,9,17H2,1-2H3
InChIKeyKEFZVADGBUKOPZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.97
Rot. Bonds4

About [5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine

[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine (PubChem CID 82106998) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine
PubChem CID82106998
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine
SMILESCOc1cc(-c2cccc(F)c2)cc(CN)c1OC
InChIInChI=1S/C15H16FNO2/c1-18-14-8-11(6-12(9-17)15(14)19-2)10-4-3-5-13(16)7-10/h3-8H,9,17H2,1-2H3
InChIKeyKEFZVADGBUKOPZ-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

[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
[5-(4-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224816
3-[3-(2-aminoethyl)-4,5-dimethoxyphenyl]aniline
CID 82038903
[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224806
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine
CID 171919569
2-[3-(aminomethyl)-4,5-dimethoxyphenyl]-4-methylaniline
CID 39224781
[2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine
CID 39225191
3-(aminomethyl)-4,5-dimethoxyphenol
CID 117279442
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine
CID 173141464
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine?
The IUPAC name of [5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine (CID 82106998) is [5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine.
What is the SMILES notation for [5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine?
The canonical SMILES for [5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine is COc1cc(-c2cccc(F)c2)cc(CN)c1OC.
What is the InChIKey of [5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine?
The InChIKey is KEFZVADGBUKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-14-8-11(6-12(9-17)15(14)19-2)10-4-3-5-13(16)7-10/h3-8H,9,17H2,1-2H3.
What are the key properties of [5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine?
[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]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 [5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine is sourced from PubChem (CID 82106998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).