2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

C18H28BrNO — CID 115817865

IUPAC2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCOc1ccc(CC(N)C2(CC(C)C)CCCC2)cc1Br
InChIInChI=1S/C18H28BrNO/c1-13(2)12-18(8-4-5-9-18)17(20)11-14-6-7-16(21-3)15(19)10-14/h6-7,10,13,17H,4-5,8-9,11-12,20H2,1-3H3
InChIKeyYEUOAHJSMKQNEG-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.93
Rot. Bonds6

About 2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (PubChem CID 115817865) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
PubChem CID115817865
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCOc1ccc(CC(N)C2(CC(C)C)CCCC2)cc1Br
InChIInChI=1S/C18H28BrNO/c1-13(2)12-18(8-4-5-9-18)17(20)11-14-6-7-16(21-3)15(19)10-14/h6-7,10,13,17H,4-5,8-9,11-12,20H2,1-3H3
InChIKeyYEUOAHJSMKQNEG-UHFFFAOYSA-N
XLogP4.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol
CID 115779517
2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105036656
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
N-[[1-[(3-bromo-4-methoxyphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63508719
1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560049
1-(3-bromo-4-methoxyphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79055879
2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827566
1-(3-bromo-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105110880
1-(3-bromo-4-methoxyphenyl)-4,6,6-trimethylheptan-2-amine
CID 115817712
2-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 102548362
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (CID 115817865) is 2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is COc1ccc(CC(N)C2(CC(C)C)CCCC2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The InChIKey is YEUOAHJSMKQNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-13(2)12-18(8-4-5-9-18)17(20)11-14-6-7-16(21-3)15(19)10-14/h6-7,10,13,17H,4-5,8-9,11-12,20H2,1-3H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine has a molecular weight of 354.33 g/mol, XLogP of 4.93, 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)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is sourced from PubChem (CID 115817865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).