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

C21H22FNO2 — CID 2956315

IUPACN-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(CCNCc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C21H22FNO2/c1-24-20-6-3-2-5-18(20)19(21-7-4-14-25-21)12-13-23-15-16-8-10-17(22)11-9-16/h2-11,14,19,23H,12-13,15H2,1H3
InChIKeyQUHRQQMZKRQEOB-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.74
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine (PubChem CID 2956315) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
PubChem CID2956315
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(CCNCc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C21H22FNO2/c1-24-20-6-3-2-5-18(20)19(21-7-4-14-25-21)12-13-23-15-16-8-10-17(22)11-9-16/h2-11,14,19,23H,12-13,15H2,1H3
InChIKeyQUHRQQMZKRQEOB-UHFFFAOYSA-N
XLogP4.74
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine (CID 2956315) is N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine is COc1ccccc1C(CCNCc1ccc(F)cc1)c1ccco1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
The InChIKey is QUHRQQMZKRQEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-24-20-6-3-2-5-18(20)19(21-7-4-14-25-21)12-13-23-15-16-8-10-17(22)11-9-16/h2-11,14,19,23H,12-13,15H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine has a molecular weight of 339.41 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 2956315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).