2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine

C17H26BrNO — CID 107188012

IUPAC2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)C1CCCC1C
InChIInChI=1S/C17H26BrNO/c1-4-19-16(14-7-5-6-12(14)2)11-13-8-9-17(20-3)15(18)10-13/h8-10,12,14,16,19H,4-7,11H2,1-3H3
InChIKeyPMQIXPUDXVTLSO-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.41
Rot. Bonds6

About 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine

2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine (PubChem CID 107188012) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
PubChem CID107188012
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)C1CCCC1C
InChIInChI=1S/C17H26BrNO/c1-4-19-16(14-7-5-6-12(14)2)11-13-8-9-17(20-3)15(18)10-13/h8-10,12,14,16,19H,4-7,11H2,1-3H3
InChIKeyPMQIXPUDXVTLSO-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine with MolForge

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Related Compounds

N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 115817876
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
N-[2-(3-bromo-4-methoxyphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80626648
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183641
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955
[2-(3-bromo-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107193478
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
1-(3-bromo-4-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149747
1-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661813

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine (CID 107188012) is 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine is CCNC(Cc1ccc(OC)c(Br)c1)C1CCCC1C.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
The InChIKey is PMQIXPUDXVTLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-19-16(14-7-5-6-12(14)2)11-13-8-9-17(20-3)15(18)10-13/h8-10,12,14,16,19H,4-7,11H2,1-3H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine is sourced from PubChem (CID 107188012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).