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

C18H27BrN2 — CID 79060381

IUPAC2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
SMILESCNC(Cc1cccc(Br)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H27BrN2/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
InChIKeyCNDGXTOITRPSIR-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.99
Rot. Bonds5

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

2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine (PubChem CID 79060381) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
PubChem CID79060381
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
SMILESCNC(Cc1cccc(Br)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H27BrN2/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
InChIKeyCNDGXTOITRPSIR-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79057960
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623
2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
CID 79060564
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79060778
N-methyl-2-(1-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 107049969
N-methyl-2-(1-methylimidazol-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 79751944
N,4-dimethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pentan-1-amine
CID 79057439
3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103759748

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine (CID 79060381) is 2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine is CNC(Cc1cccc(Br)c1)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The InChIKey is CNDGXTOITRPSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/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-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine has a molecular weight of 351.33 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine is sourced from PubChem (CID 79060381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).