2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine

C18H27FN2 — CID 79057960

IUPAC2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
SMILESCNC(Cc1cccc(F)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H27FN2/c1-20-17(14-15-7-6-8-16(19)13-15)18(9-2-3-10-18)21-11-4-5-12-21/h6-8,13,17,20H,2-5,9-12,14H2,1H3
InChIKeyZLBNOVJTUKZAJN-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.36
Rot. Bonds5

About 2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine

2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine (PubChem CID 79057960) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
PubChem CID79057960
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
SMILESCNC(Cc1cccc(F)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H27FN2/c1-20-17(14-15-7-6-8-16(19)13-15)18(9-2-3-10-18)21-11-4-5-12-21/h6-8,13,17,20H,2-5,9-12,14H2,1H3
InChIKeyZLBNOVJTUKZAJN-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79060381
2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106827610
1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070691
2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767827
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
N-methyl-2-(1-methylimidazol-2-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79761283
2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79568733
1-[2-bromo-2-(1-methylcyclohexyl)ethyl]-3-fluorobenzene
CID 106828912
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79060778
N-methyl-2-(1-methylimidazol-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 79751944
N-methyl-2-(1-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 107049969
2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
CID 114347509

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine (CID 79057960) is 2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine is CNC(Cc1cccc(F)c1)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The InChIKey is ZLBNOVJTUKZAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-20-17(14-15-7-6-8-16(19)13-15)18(9-2-3-10-18)21-11-4-5-12-21/h6-8,13,17,20H,2-5,9-12,14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine is sourced from PubChem (CID 79057960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).