N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H15F2NO — CID 43208236

IUPACN-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFc1ccc(CNC2CCCc3occc32)c(F)c1
InChIInChI=1S/C15H15F2NO/c16-11-5-4-10(13(17)8-11)9-18-14-2-1-3-15-12(14)6-7-19-15/h4-8,14,18H,1-3,9H2
InChIKeyLNTRNWAEYPCAGP-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.72
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43208236) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43208236
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFc1ccc(CNC2CCCc3occc32)c(F)c1
InChIInChI=1S/C15H15F2NO/c16-11-5-4-10(13(17)8-11)9-18-14-2-1-3-15-12(14)6-7-19-15/h4-8,14,18H,1-3,9H2
InChIKeyLNTRNWAEYPCAGP-UHFFFAOYSA-N
XLogP3.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43208236) is N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Fc1ccc(CNC2CCCc3occc32)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is LNTRNWAEYPCAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-11-5-4-10(13(17)8-11)9-18-14-2-1-3-15-12(14)6-7-19-15/h4-8,14,18H,1-3,9H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43208236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).