1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine

C17H26BrNO2 — CID 104658264

IUPAC1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-19-16(11-13-5-3-4-6-13)14-7-8-17(15(18)12-14)21-10-9-20-2/h7-8,12-13,16,19H,3-6,9-11H2,1-2H3
InChIKeyDPFMTDZKZPZEBX-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.32
Rot. Bonds8

About 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine

1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine (PubChem CID 104658264) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine
PubChem CID104658264
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-19-16(11-13-5-3-4-6-13)14-7-8-17(15(18)12-14)21-10-9-20-2/h7-8,12-13,16,19H,3-6,9-11H2,1-2H3
InChIKeyDPFMTDZKZPZEBX-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene
CID 103166047
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpropan-1-amine
CID 104658275
N-[1-(3-bromo-4-propoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104658095
2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine
CID 115863730
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-propoxybenzene
CID 104661944
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 113337189
6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine
CID 104658143
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyclopentyl-N-methylethanamine
CID 115847452
1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
CID 115842237
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine?
The IUPAC name of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine (CID 104658264) is 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine?
The canonical SMILES for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine is CNC(CC1CCCC1)c1ccc(OCCOC)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine?
The InChIKey is DPFMTDZKZPZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-19-16(11-13-5-3-4-6-13)14-7-8-17(15(18)12-14)21-10-9-20-2/h7-8,12-13,16,19H,3-6,9-11H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine?
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine has a molecular weight of 356.30 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 104658264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).