3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine

C17H25BrFNO — CID 115926904

IUPAC3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1cc(Br)ccc1F)C1CCCC1
InChIInChI=1S/C17H25BrFNO/c1-21-9-8-20-12-15(13-4-2-3-5-13)10-14-11-16(18)6-7-17(14)19/h6-7,11,13,15,20H,2-5,8-10,12H2,1H3
InChIKeyNJTFBHIUSQWTOQ-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.17
Rot. Bonds8

About 3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine

3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine (PubChem CID 115926904) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
PubChem CID115926904
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1cc(Br)ccc1F)C1CCCC1
InChIInChI=1S/C17H25BrFNO/c1-21-9-8-20-12-15(13-4-2-3-5-13)10-14-11-16(18)6-7-17(14)19/h6-7,11,13,15,20H,2-5,8-10,12H2,1H3
InChIKeyNJTFBHIUSQWTOQ-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.17
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

3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 82933905
3-(3-chloro-4-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 103041197
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194
2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 104819419
2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82934214
2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
CID 82934143
N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine
CID 115926774
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62725210
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-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65392217

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine (CID 115926904) is 3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine is COCCNCC(Cc1cc(Br)ccc1F)C1CCCC1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is NJTFBHIUSQWTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-21-9-8-20-12-15(13-4-2-3-5-13)10-14-11-16(18)6-7-17(14)19/h6-7,11,13,15,20H,2-5,8-10,12H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine?
3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 358.30 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 115926904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).