3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine

C16H24BrNO — CID 112569796

IUPAC3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine
SMILESCNCC(Cc1cc(OC)ccc1Br)C1CCCC1
InChIInChI=1S/C16H24BrNO/c1-18-11-14(12-5-3-4-6-12)9-13-10-15(19-2)7-8-16(13)17/h7-8,10,12,14,18H,3-6,9,11H2,1-2H3
InChIKeyWNWAJBRYJWYCCY-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.03
Rot. Bonds6

About 3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine

3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine (PubChem CID 112569796) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine
PubChem CID112569796
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine
SMILESCNCC(Cc1cc(OC)ccc1Br)C1CCCC1
InChIInChI=1S/C16H24BrNO/c1-18-11-14(12-5-3-4-6-12)9-13-10-15(19-2)7-8-16(13)17/h7-8,10,12,14,18H,3-6,9,11H2,1-2H3
InChIKeyWNWAJBRYJWYCCY-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
CID 115862327
3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722110
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878
[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227494
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105150997
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801475
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115862299
2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine?
The IUPAC name of 3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine (CID 112569796) is 3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine is CNCC(Cc1cc(OC)ccc1Br)C1CCCC1.
What is the InChIKey of 3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine?
The InChIKey is WNWAJBRYJWYCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-18-11-14(12-5-3-4-6-12)9-13-10-15(19-2)7-8-16(13)17/h7-8,10,12,14,18H,3-6,9,11H2,1-2H3.
What are the key properties of 3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine?
3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine is sourced from PubChem (CID 112569796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).