1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine

C17H26BrNO — CID 115817876

IUPAC1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)CC1CCCC1
InChIInChI=1S/C17H26BrNO/c1-3-19-15(10-13-6-4-5-7-13)11-14-8-9-17(20-2)16(18)12-14/h8-9,12-13,15,19H,3-7,10-11H2,1-2H3
InChIKeyCVECFZFNHQNLRH-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.56
Rot. Bonds7

About 1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine

1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine (PubChem CID 115817876) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
PubChem CID115817876
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)CC1CCCC1
InChIInChI=1S/C17H26BrNO/c1-3-19-15(10-13-6-4-5-7-13)11-14-8-9-17(20-2)16(18)12-14/h8-9,12-13,15,19H,3-7,10-11H2,1-2H3
InChIKeyCVECFZFNHQNLRH-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 65458593
1-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661813
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107188012
1-(3-bromo-4-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149747
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 65458139
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine (CID 115817876) is 1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine is CCNC(Cc1ccc(OC)c(Br)c1)CC1CCCC1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine?
The InChIKey is CVECFZFNHQNLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-19-15(10-13-6-4-5-7-13)11-14-8-9-17(20-2)16(18)12-14/h8-9,12-13,15,19H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine?
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine has a molecular weight of 340.31 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine is sourced from PubChem (CID 115817876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).