1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine

C16H24BrNO — CID 65439927

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
SMILESCOc1cc(C)c(Br)cc1C(N)CCC1CCCC1
InChIInChI=1S/C16H24BrNO/c1-11-9-16(19-2)13(10-14(11)17)15(18)8-7-12-5-3-4-6-12/h9-10,12,15H,3-8,18H2,1-2H3
InChIKeyHKLWSWYRGISIOL-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.74
Rot. Bonds5

About 1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine

1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine (PubChem CID 65439927) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
PubChem CID65439927
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
SMILESCOc1cc(C)c(Br)cc1C(N)CCC1CCCC1
InChIInChI=1S/C16H24BrNO/c1-11-9-16(19-2)13(10-14(11)17)15(18)8-7-12-5-3-4-6-12/h9-10,12,15H,3-8,18H2,1-2H3
InChIKeyHKLWSWYRGISIOL-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine
CID 43118223
(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
CID 65440297
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 103394442
6-amino-6-(5-bromo-2-methoxy-4-methylphenyl)hexanamide
CID 65433741
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 103394525
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
CID 105056685
1-(5-bromo-2-methoxy-4-methylphenyl)-3,4,4-trimethylpentan-1-amine
CID 65439926
methyl 5-amino-5-(5-bromo-2-methoxy-4-methylphenyl)pentanoate
CID 65434125
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207664
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine (CID 65439927) is 1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine is COc1cc(C)c(Br)cc1C(N)CCC1CCCC1.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine?
The InChIKey is HKLWSWYRGISIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11-9-16(19-2)13(10-14(11)17)15(18)8-7-12-5-3-4-6-12/h9-10,12,15H,3-8,18H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine?
1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 65439927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).