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

C15H16FNO2 — CID 81446939

IUPAC[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
SMILESCOc1ccc(-c2ccc(CN)cc2F)cc1OC
InChIInChI=1S/C15H16FNO2/c1-18-14-6-4-11(8-15(14)19-2)12-5-3-10(9-17)7-13(12)16/h3-8H,9,17H2,1-2H3
InChIKeyUXQHMPQLZCBXEX-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.97
Rot. Bonds4

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

[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine (PubChem CID 81446939) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
PubChem CID81446939
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
SMILESCOc1ccc(-c2ccc(CN)cc2F)cc1OC
InChIInChI=1S/C15H16FNO2/c1-18-14-6-4-11(8-15(14)19-2)12-5-3-10(9-17)7-13(12)16/h3-8H,9,17H2,1-2H3
InChIKeyUXQHMPQLZCBXEX-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-(6-methoxynaphthalen-2-yl)phenyl]methanamine
CID 81441338
[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
CID 81446738
[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 116810937
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine
CID 114076769
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine
CID 103523744
N-[[4-(3-chloro-4-methoxyphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441468
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine (CID 81446939) is [4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine is COc1ccc(-c2ccc(CN)cc2F)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine?
The InChIKey is UXQHMPQLZCBXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-14-6-4-11(8-15(14)19-2)12-5-3-10(9-17)7-13(12)16/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine?
[4-(3,4-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-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 81446939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).