1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine

C16H24BrNO — CID 115862330

IUPAC1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
SMILESCOc1ccc(Br)c(CC(N)CCC2CCCC2)c1
InChIInChI=1S/C16H24BrNO/c1-19-15-8-9-16(17)13(11-15)10-14(18)7-6-12-4-2-3-5-12/h8-9,11-12,14H,2-7,10,18H2,1H3
InChIKeyUVNWYMYKHACINN-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.30
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine

1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine (PubChem CID 115862330) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
PubChem CID115862330
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
SMILESCOc1ccc(Br)c(CC(N)CCC2CCCC2)c1
InChIInChI=1S/C16H24BrNO/c1-19-15-8-9-16(17)13(11-15)10-14(18)7-6-12-4-2-3-5-12/h8-9,11-12,14H,2-7,10,18H2,1H3
InChIKeyUVNWYMYKHACINN-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
CID 115862327
2-bromo-1-(1-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63443780
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862194
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227494
1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168715
[1-(2-bromo-5-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315167
2-(2-bromo-5-methoxyphenyl)-1-(thian-2-yl)ethanamine
CID 80626770
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
CID 115818846
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65410340

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine (CID 115862330) is 1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine is COc1ccc(Br)c(CC(N)CCC2CCCC2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine?
The InChIKey is UVNWYMYKHACINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-19-15-8-9-16(17)13(11-15)10-14(18)7-6-12-4-2-3-5-12/h8-9,11-12,14H,2-7,10,18H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine?
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine is sourced from PubChem (CID 115862330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).