6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine

C23H31FN2O — CID 58036831

IUPAC6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C[C@@H]2CCC[C@@H]2OCCCCCc2cccc(F)c2)c1
InChIInChI=1S/C23H31FN2O/c1-17-13-21(26-23(25)14-17)16-19-9-6-11-22(19)27-12-4-2-3-7-18-8-5-10-20(24)15-18/h5,8,10,13-15,19,22H,2-4,6-7,9,11-12,16H2,1H3,(H2,25,26)/t19-,22-/m0/s1
InChIKeyGKAOBUHTFDPEFR-UGKGYDQZSA-N
MW370.51 g/mol
LogP5.25
Rot. Bonds9

About 6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine

6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine (PubChem CID 58036831) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine
PubChem CID58036831
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C[C@@H]2CCC[C@@H]2OCCCCCc2cccc(F)c2)c1
InChIInChI=1S/C23H31FN2O/c1-17-13-21(26-23(25)14-17)16-19-9-6-11-22(19)27-12-4-2-3-7-18-8-5-10-20(24)15-18/h5,8,10,13-15,19,22H,2-4,6-7,9,11-12,16H2,1H3,(H2,25,26)/t19-,22-/m0/s1
InChIKeyGKAOBUHTFDPEFR-UGKGYDQZSA-N
XLogP5.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.51
LogP ≤ 55.25
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 6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine (CID 58036831) is 6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(C[C@@H]2CCC[C@@H]2OCCCCCc2cccc(F)c2)c1.
What is the InChIKey of 6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine?
The InChIKey is GKAOBUHTFDPEFR-UGKGYDQZSA-N. The full InChI is InChI=1S/C23H31FN2O/c1-17-13-21(26-23(25)14-17)16-19-9-6-11-22(19)27-12-4-2-3-7-18-8-5-10-20(24)15-18/h5,8,10,13-15,19,22H,2-4,6-7,9,11-12,16H2,1H3,(H2,25,26)/t19-,22-/m0/s1.
What are the key properties of 6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine?
6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine has a molecular weight of 370.51 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-[5-(3-fluorophenyl)pentoxy]cyclopentyl]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 58036831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).