[5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C17H26N2O — CID 117438857

IUPAC[5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-19-12-13(11-18)10-17(19)14-6-8-16(9-7-14)20-15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12,18H2,1H3
InChIKeyWNPLVXOROHSUBQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds4

About [5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117438857) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117438857
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-19-12-13(11-18)10-17(19)14-6-8-16(9-7-14)20-15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12,18H2,1H3
InChIKeyWNPLVXOROHSUBQ-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434114
[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489816
[5-(3-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434115
[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117472352
[1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine
CID 112546386
[5-(2-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434116
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341070
[1-methyl-5-[4-(oxetan-3-ylsulfanyl)phenyl]pyrrolidin-3-yl]methanamine
CID 117446773
[1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine
CID 117429396
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
CID 117438743
[1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine
CID 117411258

Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117438857) is [5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccc(OC2CCCC2)cc1.
What is the InChIKey of [5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is WNPLVXOROHSUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-12-13(11-18)10-17(19)14-6-8-16(9-7-14)20-15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12,18H2,1H3.
What are the key properties of [5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclopentyloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117438857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).