3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine

C17H26BrNO — CID 82933905

IUPAC3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C17H26BrNO/c1-20-10-9-19-13-16(15-6-2-3-7-15)11-14-5-4-8-17(18)12-14/h4-5,8,12,15-16,19H,2-3,6-7,9-11,13H2,1H3
InChIKeyATCDZNKEOSZPFZ-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.03
Rot. Bonds8

About 3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine

3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine (PubChem CID 82933905) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
PubChem CID82933905
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C17H26BrNO/c1-20-10-9-19-13-16(15-6-2-3-7-15)11-14-5-4-8-17(18)12-14/h4-5,8,12,15-16,19H,2-3,6-7,9-11,13H2,1H3
InChIKeyATCDZNKEOSZPFZ-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 82932989
3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 115926904
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194
3-(3-chloro-4-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 103041197
2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 104819419
2-[(3-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106456966
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82934214
2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 112570185
2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112570182
2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
CID 82934143
3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 104810963

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine (CID 82933905) is 3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine is COCCNCC(Cc1cccc(Br)c1)C1CCCC1.
What is the InChIKey of 3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is ATCDZNKEOSZPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-20-10-9-19-13-16(15-6-2-3-7-15)11-14-5-4-8-17(18)12-14/h4-5,8,12,15-16,19H,2-3,6-7,9-11,13H2,1H3.
What are the key properties of 3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine?
3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 82933905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).