2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine

C17H26BrNO — CID 104662944

IUPAC2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine
SMILESCCOc1ccc(CCC2(CCN)CCCC2)cc1Br
InChIInChI=1S/C17H26BrNO/c1-2-20-16-6-5-14(13-15(16)18)7-10-17(11-12-19)8-3-4-9-17/h5-6,13H,2-4,7-12,19H2,1H3
InChIKeyYOSJMTXDGXWXAD-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.69
Rot. Bonds7

About 2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine

2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine (PubChem CID 104662944) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine
PubChem CID104662944
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine
SMILESCCOc1ccc(CCC2(CCN)CCCC2)cc1Br
InChIInChI=1S/C17H26BrNO/c1-2-20-16-6-5-14(13-15(16)18)7-10-17(11-12-19)8-3-4-9-17/h5-6,13H,2-4,7-12,19H2,1H3
InChIKeyYOSJMTXDGXWXAD-UHFFFAOYSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine
CID 65305595
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65496044
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65303673
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
2-[3-bromo-4-(3-ethylsulfanylpropoxy)phenyl]ethanamine
CID 113474019
ethyl 3-[3-bromo-4-(cyclopentylmethoxy)phenyl]propanoate
CID 22559143
N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 104662902

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine?
The IUPAC name of 2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine (CID 104662944) is 2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine.
What is the SMILES notation for 2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine?
The canonical SMILES for 2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine is CCOc1ccc(CCC2(CCN)CCCC2)cc1Br.
What is the InChIKey of 2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine?
The InChIKey is YOSJMTXDGXWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-20-16-6-5-14(13-15(16)18)7-10-17(11-12-19)8-3-4-9-17/h5-6,13H,2-4,7-12,19H2,1H3.
What are the key properties of 2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine?
2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine is sourced from PubChem (CID 104662944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).