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

C15H16FNO — CID 43208231

IUPACN-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFc1ccc(CNC2CCCc3occc32)cc1
InChIInChI=1S/C15H16FNO/c16-12-6-4-11(5-7-12)10-17-14-2-1-3-15-13(14)8-9-18-15/h4-9,14,17H,1-3,10H2
InChIKeyZNTZNAMGOIWAEY-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.59
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43208231) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43208231
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFc1ccc(CNC2CCCc3occc32)cc1
InChIInChI=1S/C15H16FNO/c16-12-6-4-11(5-7-12)10-17-14-2-1-3-15-13(14)8-9-18-15/h4-9,14,17H,1-3,10H2
InChIKeyZNTZNAMGOIWAEY-UHFFFAOYSA-N
XLogP3.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43208231) is N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Fc1ccc(CNC2CCCc3occc32)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is ZNTZNAMGOIWAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-12-6-4-11(5-7-12)10-17-14-2-1-3-15-13(14)8-9-18-15/h4-9,14,17H,1-3,10H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43208231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).