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

C21H22FNO2 — CID 2939625

IUPACN-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(CCNCc1ccccc1F)c1ccco1
InChIInChI=1S/C21H22FNO2/c1-24-20-10-5-3-8-17(20)18(21-11-6-14-25-21)12-13-23-15-16-7-2-4-9-19(16)22/h2-11,14,18,23H,12-13,15H2,1H3
InChIKeyLPSASRYAMPFRQZ-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.74
Rot. Bonds8

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

N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine (PubChem CID 2939625) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
PubChem CID2939625
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(CCNCc1ccccc1F)c1ccco1
InChIInChI=1S/C21H22FNO2/c1-24-20-10-5-3-8-17(20)18(21-11-6-14-25-21)12-13-23-15-16-7-2-4-9-19(16)22/h2-11,14,18,23H,12-13,15H2,1H3
InChIKeyLPSASRYAMPFRQZ-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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Related Compounds

(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 729616
3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 131894709
N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 1391150
4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
CID 169488876
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
(2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine
CID 51690741
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780
1-[(2-methoxyphenyl)methylamino]pentan-3-ol
CID 115703090
4-[(2-fluorophenyl)methylamino]-2-methylbutanoic acid
CID 115220769
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 6464080
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 165123651
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine (CID 2939625) is N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine is COc1ccccc1C(CCNCc1ccccc1F)c1ccco1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
The InChIKey is LPSASRYAMPFRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-24-20-10-5-3-8-17(20)18(21-11-6-14-25-21)12-13-23-15-16-7-2-4-9-19(16)22/h2-11,14,18,23H,12-13,15H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
N-[(2-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-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 2939625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).