(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine

C14H12F3NO — CID 43122336

IUPAC(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1c(F)cccc1F
InChIInChI=1S/C14H12F3NO/c1-19-12-6-5-8(15)7-9(12)14(18)13-10(16)3-2-4-11(13)17/h2-7,14H,18H2,1H3
InChIKeyHGBFTQBXZJSWFB-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.16
Rot. Bonds3

About (2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine

(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 43122336) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID43122336
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1c(F)cccc1F
InChIInChI=1S/C14H12F3NO/c1-19-12-6-5-8(15)7-9(12)14(18)13-10(16)3-2-4-11(13)17/h2-7,14H,18H2,1H3
InChIKeyHGBFTQBXZJSWFB-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626075
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122354
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 116936753
(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107960548

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of (2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine (CID 43122336) is (2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for (2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine is COc1ccc(F)cc1C(N)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is HGBFTQBXZJSWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-19-12-6-5-8(15)7-9(12)14(18)13-10(16)3-2-4-11(13)17/h2-7,14H,18H2,1H3.
What are the key properties of (2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine?
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 267.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 43122336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).