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

C20H21FN2O2 — CID 131894709

IUPAC3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCOc1ncccc1CNCCC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C20H21FN2O2/c1-24-20-16(4-2-11-23-20)14-22-12-10-18(19-5-3-13-25-19)15-6-8-17(21)9-7-15/h2-9,11,13,18,22H,10,12,14H2,1H3
InChIKeyHAAAXOFOMWLNTG-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.13
Rot. Bonds8

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

3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 131894709) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID131894709
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCOc1ncccc1CNCCC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C20H21FN2O2/c1-24-20-16(4-2-11-23-20)14-22-12-10-18(19-5-3-13-25-19)15-6-8-17(21)9-7-15/h2-9,11,13,18,22H,10,12,14H2,1H3
InChIKeyHAAAXOFOMWLNTG-UHFFFAOYSA-N
XLogP4.13
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 2939625
3-chloro-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]butan-1-amine
CID 106242391
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 97454241
4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
CID 114333213
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400363
N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine
CID 131951741
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513
4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 2022429

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine (CID 131894709) is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine is COc1ncccc1CNCCC(c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is HAAAXOFOMWLNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-24-20-16(4-2-11-23-20)14-22-12-10-18(19-5-3-13-25-19)15-6-8-17(21)9-7-15/h2-9,11,13,18,22H,10,12,14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine?
3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 340.40 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 131894709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).