N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine

C21H22FNO — CID 3751836

IUPACN-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine
SMILESFc1ccc(CNCCC(Cc2ccccc2)c2ccco2)cc1
InChIInChI=1S/C21H22FNO/c22-20-10-8-18(9-11-20)16-23-13-12-19(21-7-4-14-24-21)15-17-5-2-1-3-6-17/h1-11,14,19,23H,12-13,15-16H2
InChIKeyUHMGEDKDEHYYEM-UHFFFAOYSA-N
MW323.41 g/mol
LogP4.92
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine

N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine (PubChem CID 3751836) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine
PubChem CID3751836
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine
SMILESFc1ccc(CNCCC(Cc2ccccc2)c2ccco2)cc1
InChIInChI=1S/C21H22FNO/c22-20-10-8-18(9-11-20)16-23-13-12-19(21-7-4-14-24-21)15-17-5-2-1-3-6-17/h1-11,14,19,23H,12-13,15-16H2
InChIKeyUHMGEDKDEHYYEM-UHFFFAOYSA-N
XLogP4.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine (CID 3751836) is N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine is Fc1ccc(CNCCC(Cc2ccccc2)c2ccco2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine?
The InChIKey is UHMGEDKDEHYYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c22-20-10-8-18(9-11-20)16-23-13-12-19(21-7-4-14-24-21)15-17-5-2-1-3-6-17/h1-11,14,19,23H,12-13,15-16H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine?
N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine has a molecular weight of 323.41 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 3751836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).