(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine

C15H16FNO2 — CID 24688761

IUPAC(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
SMILESCOc1ccc(C(N)c2ccccc2F)cc1OC
InChIInChI=1S/C15H16FNO2/c1-18-13-8-7-10(9-14(13)19-2)15(17)11-5-3-4-6-12(11)16/h3-9,15H,17H2,1-2H3
InChIKeyCOJYQONQCVTVCH-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.89
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine

(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine (PubChem CID 24688761) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
PubChem CID24688761
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
SMILESCOc1ccc(C(N)c2ccccc2F)cc1OC
InChIInChI=1S/C15H16FNO2/c1-18-13-8-7-10(9-14(13)19-2)15(17)11-5-3-4-6-12(11)16/h3-9,15H,17H2,1-2H3
InChIKeyCOJYQONQCVTVCH-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 24688594
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
CID 105035771
(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
CID 115828038
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038146

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine (CID 24688761) is (3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine is COc1ccc(C(N)c2ccccc2F)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine?
The InChIKey is COJYQONQCVTVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-13-8-7-10(9-14(13)19-2)15(17)11-5-3-4-6-12(11)16/h3-9,15H,17H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine?
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine has a molecular weight of 261.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine is sourced from PubChem (CID 24688761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).