(4-fluorophenyl)-(2-methylfuran-3-yl)methanamine

C12H12FNO — CID 43463933

IUPAC(4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c1-8-11(6-7-15-8)12(14)9-2-4-10(13)5-3-9/h2-7,12H,14H2,1H3
InChIKeyFUDOJVRJYCXZIG-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.78
Rot. Bonds2

About (4-fluorophenyl)-(2-methylfuran-3-yl)methanamine

(4-fluorophenyl)-(2-methylfuran-3-yl)methanamine (PubChem CID 43463933) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
PubChem CID43463933
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name(4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c1-8-11(6-7-15-8)12(14)9-2-4-10(13)5-3-9/h2-7,12H,14H2,1H3
InChIKeyFUDOJVRJYCXZIG-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

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N-(1-benzofuran-3-ylmethyl)sulfamide
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N-(1-(furan-2-yl)propan-2-yl)-4-(trifluoromethyl)benzamide
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1-(4-Methoxyphenyl)-3-(5-methyl-2-furyl)propylamine
CID 6602911
N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine
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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-methylfuran-3-yl)methanamine?
The IUPAC name of (4-fluorophenyl)-(2-methylfuran-3-yl)methanamine (CID 43463933) is (4-fluorophenyl)-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for (4-fluorophenyl)-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for (4-fluorophenyl)-(2-methylfuran-3-yl)methanamine is Cc1occc1C(N)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(2-methylfuran-3-yl)methanamine?
The InChIKey is FUDOJVRJYCXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8-11(6-7-15-8)12(14)9-2-4-10(13)5-3-9/h2-7,12H,14H2,1H3.
What are the key properties of (4-fluorophenyl)-(2-methylfuran-3-yl)methanamine?
(4-fluorophenyl)-(2-methylfuran-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 (4-fluorophenyl)-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 43463933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).