(3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine

C12H11F2NO — CID 43464172

IUPAC(3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2NO/c1-7-9(4-5-16-7)12(15)8-2-3-10(13)11(14)6-8/h2-6,12H,15H2,1H3
InChIKeyUBAVMNHUMZAINP-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.91
Rot. Bonds2

About (3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine

(3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine (PubChem CID 43464172) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine
PubChem CID43464172
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name(3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2NO/c1-7-9(4-5-16-7)12(15)8-2-3-10(13)11(14)6-8/h2-6,12H,15H2,1H3
InChIKeyUBAVMNHUMZAINP-UHFFFAOYSA-N
XLogP2.91
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11993871
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CID 10130548
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CID 2771861
3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine
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3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
N-(4-fluorobenzyl)-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 3606576
(4-Fluoro-benzyl)-(3-furan-2-yl-4-phenyl-butyl)-amine
CID 3751836
N-(1-(furan-2-yl)propan-2-yl)-4-(trifluoromethyl)benzamide
CID 4253008
1-(4-Methoxyphenyl)-3-(5-methyl-2-furyl)propylamine
CID 6602911
1-(1-Benzofuran-3-yl)methanamine
CID 23504847
4,5,6,7-Tetrahydro-1-benzofuran-4-amine
CID 18525171
4-methyl-4-(5-methyl-2-furyl)-N-[4-(trifluoromethyl)benzyl]-2-pentanamine
CID 2867758

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine (CID 43464172) is (3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine is Cc1occc1C(N)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine?
The InChIKey is UBAVMNHUMZAINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-7-9(4-5-16-7)12(15)8-2-3-10(13)11(14)6-8/h2-6,12H,15H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine?
(3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine has a molecular weight of 223.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 43464172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).