1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine

C13H13F2NO — CID 115652761

IUPAC1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccoc1CNCc1ccc(F)c(F)c1
InChIInChI=1S/C13H13F2NO/c1-9-4-5-17-13(9)8-16-7-10-2-3-11(14)12(15)6-10/h2-6,16H,7-8H2,1H3
InChIKeyXCORQNZHUQUPAS-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.16
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine

1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine (PubChem CID 115652761) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
PubChem CID115652761
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccoc1CNCc1ccc(F)c(F)c1
InChIInChI=1S/C13H13F2NO/c1-9-4-5-17-13(9)8-16-7-10-2-3-11(14)12(15)6-10/h2-6,16H,7-8H2,1H3
InChIKeyXCORQNZHUQUPAS-UHFFFAOYSA-N
XLogP3.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651182
1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651246
N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 115876137
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678
1-(3,4-difluorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893579
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
5-[[(3,4-difluorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103244439
1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
CID 792126
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115977103

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine (CID 115652761) is 1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine is Cc1ccoc1CNCc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The InChIKey is XCORQNZHUQUPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-9-4-5-17-13(9)8-16-7-10-2-3-11(14)12(15)6-10/h2-6,16H,7-8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine has a molecular weight of 237.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 115652761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).