(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine

C12H12FNO — CID 115855456

IUPAC(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine
SMILESCc1cccc(C(N)c2ccoc2)c1F
InChIInChI=1S/C12H12FNO/c1-8-3-2-4-10(11(8)13)12(14)9-5-6-15-7-9/h2-7,12H,14H2,1H3
InChIKeyMVHJDBCWSLXVPL-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.78
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine

(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine (PubChem CID 115855456) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine
PubChem CID115855456
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine
SMILESCc1cccc(C(N)c2ccoc2)c1F
InChIInChI=1S/C12H12FNO/c1-8-3-2-4-10(11(8)13)12(14)9-5-6-15-7-9/h2-7,12H,14H2,1H3
InChIKeyMVHJDBCWSLXVPL-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
CID 79724952
(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477384
furan-3-yl-(3-methylfuran-2-yl)methanamine
CID 104804500
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
(2-fluoro-3-methylphenyl)-naphthalen-2-ylmethanamine
CID 115850991
(3,4-dimethylphenyl)-(furan-3-yl)methanamine
CID 43464604
(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477083
(4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine
CID 130815462
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085
(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
CID 114330324
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
2,3-dihydrofuran-5-yl-(2-fluoro-3-methylphenyl)methanamine
CID 102653149

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine?
The IUPAC name of (2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine (CID 115855456) is (2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine is Cc1cccc(C(N)c2ccoc2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine?
The InChIKey is MVHJDBCWSLXVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8-3-2-4-10(11(8)13)12(14)9-5-6-15-7-9/h2-7,12H,14H2,1H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine?
(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine has a molecular weight of 205.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine is sourced from PubChem (CID 115855456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).