2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine

C16H24BrNO — CID 82934214

IUPAC2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(c1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C16H24BrNO/c1-19-11-10-18-12-16(13-4-2-3-5-13)14-6-8-15(17)9-7-14/h6-9,13,16,18H,2-5,10-12H2,1H3
InChIKeyUCXQTGAHKHTUNU-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine

2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine (PubChem CID 82934214) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
PubChem CID82934214
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(c1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C16H24BrNO/c1-19-11-10-18-12-16(13-4-2-3-5-13)14-6-8-15(17)9-7-14/h6-9,13,16,18H,2-5,10-12H2,1H3
InChIKeyUCXQTGAHKHTUNU-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.96
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

2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
CID 82934143
2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82937094
2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82936231
2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
CID 82933659
N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
CID 104819466
2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 116662419
3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 115926904
3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 82933905
2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82936076
1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene
CID 82946371
2-(3-bromophenyl)-2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)ethanamine
CID 79431152
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine (CID 82934214) is 2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine is COCCNCC(c1ccc(Br)cc1)C1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
The InChIKey is UCXQTGAHKHTUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-19-11-10-18-12-16(13-4-2-3-5-13)14-6-8-15(17)9-7-14/h6-9,13,16,18H,2-5,10-12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine has a molecular weight of 326.28 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 82934214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).