3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine

C15H22BrNO — CID 113390105

IUPAC3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine
SMILESCOc1ccc(CCC(N)C2CCCC2)cc1Br
InChIInChI=1S/C15H22BrNO/c1-18-15-9-7-11(10-13(15)16)6-8-14(17)12-4-2-3-5-12/h7,9-10,12,14H,2-6,8,17H2,1H3
InChIKeyFWHUZHRXIOGIPR-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.91
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine

3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine (PubChem CID 113390105) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine
PubChem CID113390105
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine
SMILESCOc1ccc(CCC(N)C2CCCC2)cc1Br
InChIInChI=1S/C15H22BrNO/c1-18-15-9-7-11(10-13(15)16)6-8-14(17)12-4-2-3-5-12/h7,9-10,12,14H,2-6,8,17H2,1H3
InChIKeyFWHUZHRXIOGIPR-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
2-(3-bromo-4-methoxyphenyl)-1-(oxan-4-yl)ethanamine
CID 65334383
3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
CID 63355272
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
1-(3-bromo-4-methoxyphenyl)heptane-3,4-diol
CID 83926163
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
CID 4743348
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine (CID 113390105) is 3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine is COc1ccc(CCC(N)C2CCCC2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine?
The InChIKey is FWHUZHRXIOGIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-18-15-9-7-11(10-13(15)16)6-8-14(17)12-4-2-3-5-12/h7,9-10,12,14H,2-6,8,17H2,1H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine?
3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine is sourced from PubChem (CID 113390105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).