[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C18H28N2O2 — CID 117489816

IUPAC[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cccc(C2CC(CN)CN2C)c1OC1CCCC1
InChIInChI=1S/C18H28N2O2/c1-20-12-13(11-19)10-16(20)15-8-5-9-17(21-2)18(15)22-14-6-3-4-7-14/h5,8-9,13-14,16H,3-4,6-7,10-12,19H2,1-2H3
InChIKeyJCVDIGXFEGQFKQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.97
Rot. Bonds5

About [5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117489816) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117489816
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cccc(C2CC(CN)CN2C)c1OC1CCCC1
InChIInChI=1S/C18H28N2O2/c1-20-12-13(11-19)10-16(20)15-8-5-9-17(21-2)18(15)22-14-6-3-4-7-14/h5,8-9,13-14,16H,3-4,6-7,10-12,19H2,1-2H3
InChIKeyJCVDIGXFEGQFKQ-UHFFFAOYSA-N
XLogP2.97
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117489816) is [5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1cccc(C2CC(CN)CN2C)c1OC1CCCC1.
What is the InChIKey of [5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is JCVDIGXFEGQFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20-12-13(11-19)10-16(20)15-8-5-9-17(21-2)18(15)22-14-6-3-4-7-14/h5,8-9,13-14,16H,3-4,6-7,10-12,19H2,1-2H3.
What are the key properties of [5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 304.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117489816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).