2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine

C18H28N2 — CID 62435846

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
SMILESCNCC(c1ccccc1)N1CCCC1C1CCCC1
InChIInChI=1S/C18H28N2/c1-19-14-18(16-8-3-2-4-9-16)20-13-7-12-17(20)15-10-5-6-11-15/h2-4,8-9,15,17-19H,5-7,10-14H2,1H3
InChIKeyPUIXDWOKGOGDMN-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.60
Rot. Bonds5

About 2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine

2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine (PubChem CID 62435846) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
PubChem CID62435846
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
SMILESCNCC(c1ccccc1)N1CCCC1C1CCCC1
InChIInChI=1S/C18H28N2/c1-19-14-18(16-8-3-2-4-9-16)20-13-7-12-17(20)15-10-5-6-11-15/h2-4,8-9,15,17-19H,5-7,10-14H2,1H3
InChIKeyPUIXDWOKGOGDMN-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]phenol
CID 82981782
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 63218346
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine
CID 102725488
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethanamine
CID 62428095
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
CID 64583795
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65319110
N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine
CID 62974266
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 115562272

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine (CID 62435846) is 2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine is CNCC(c1ccccc1)N1CCCC1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine?
The InChIKey is PUIXDWOKGOGDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-19-14-18(16-8-3-2-4-9-16)20-13-7-12-17(20)15-10-5-6-11-15/h2-4,8-9,15,17-19H,5-7,10-14H2,1H3.
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine?
2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 62435846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).