[3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine

C12H12FNO — CID 106886832

IUPAC[3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine
SMILESCc1cc(F)ccc1-c1ccoc1CN
InChIInChI=1S/C12H12FNO/c1-8-6-9(13)2-3-10(8)11-4-5-15-12(11)7-14/h2-6H,7,14H2,1H3
InChIKeyMJMFQJGBDJTWOM-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.85
Rot. Bonds2

About [3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine

[3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine (PubChem CID 106886832) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is [3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine
PubChem CID106886832
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name[3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine
SMILESCc1cc(F)ccc1-c1ccoc1CN
InChIInChI=1S/C12H12FNO/c1-8-6-9(13)2-3-10(8)11-4-5-15-12(11)7-14/h2-6H,7,14H2,1H3
InChIKeyMJMFQJGBDJTWOM-UHFFFAOYSA-N
XLogP2.85
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine
CID 106889012
[3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine
CID 106887847
[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
CID 54911954
[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 66479818
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
[3-(1-ethyl-5-methylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888919
[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine
CID 106888051
[3-(2,3,5,6-tetrachlorophenyl)furan-2-yl]methanamine
CID 106888558
N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887842
[4-(3,5-difluorophenyl)-3-methylphenyl]methanamine
CID 66479617
[4-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 61026392

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine?
The IUPAC name of [3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine (CID 106886832) is [3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine?
The canonical SMILES for [3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine is Cc1cc(F)ccc1-c1ccoc1CN.
What is the InChIKey of [3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine?
The InChIKey is MJMFQJGBDJTWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8-6-9(13)2-3-10(8)11-4-5-15-12(11)7-14/h2-6H,7,14H2,1H3.
What are the key properties of [3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine?
[3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine has a molecular weight of 205.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine is sourced from PubChem (CID 106886832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).