1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine

C12H11F2NO — CID 62649885

IUPAC1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1cccc(F)c1F
InChIInChI=1S/C12H11F2NO/c1-15-12(10-6-3-7-16-10)8-4-2-5-9(13)11(8)14/h2-7,12,15H,1H3
InChIKeyVALTWLVPQRJSPK-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.87
Rot. Bonds3

About 1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine

1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 62649885) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
PubChem CID62649885
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1cccc(F)c1F
InChIInChI=1S/C12H11F2NO/c1-15-12(10-6-3-7-16-10)8-4-2-5-9(13)11(8)14/h2-7,12,15H,1H3
InChIKeyVALTWLVPQRJSPK-UHFFFAOYSA-N
XLogP2.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302337
1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 82783225
1-(1-benzothiophen-7-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 81154346
1-(2,3-difluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 62649351
N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017
1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 79725266
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450
1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 80534877
N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 106645508
N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 103924689
1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 63990472
1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 54880479

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine (CID 62649885) is 1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine is CNC(c1ccco1)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is VALTWLVPQRJSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-15-12(10-6-3-7-16-10)8-4-2-5-9(13)11(8)14/h2-7,12,15H,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine?
1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 223.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62649885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).