2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine

C16H24BrNO — CID 107188007

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)C1CCCC1(C)C
InChIInChI=1S/C16H24BrNO/c1-16(2)8-4-5-13(16)14(18)10-11-9-12(17)6-7-15(11)19-3/h6-7,9,13-14H,4-5,8,10,18H2,1-3H3
InChIKeyPKZDNPPBVGADCF-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.15
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine

2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine (PubChem CID 107188007) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
PubChem CID107188007
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)C1CCCC1(C)C
InChIInChI=1S/C16H24BrNO/c1-16(2)8-4-5-13(16)14(18)10-11-9-12(17)6-7-15(11)19-3/h6-7,9,13-14H,4-5,8,10,18H2,1-3H3
InChIKeyPKZDNPPBVGADCF-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115816983
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817280
[2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]hydrazine
CID 107193657
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762679
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559107
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189012
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107188309
2-(5-bromo-2-methoxyphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105110160

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine (CID 107188007) is 2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine is COc1ccc(Br)cc1CC(N)C1CCCC1(C)C.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine?
The InChIKey is PKZDNPPBVGADCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-16(2)8-4-5-13(16)14(18)10-11-9-12(17)6-7-15(11)19-3/h6-7,9,13-14H,4-5,8,10,18H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine is sourced from PubChem (CID 107188007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).