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

C18H28BrNO — CID 82934143

IUPAC2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(c1ccc(Br)cc1)C1CCCCCC1
InChIInChI=1S/C18H28BrNO/c1-21-13-12-20-14-18(15-6-4-2-3-5-7-15)16-8-10-17(19)11-9-16/h8-11,15,18,20H,2-7,12-14H2,1H3
InChIKeyXXEUOBYNNFFJKN-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.74
Rot. Bonds7

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

2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine (PubChem CID 82934143) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
PubChem CID82934143
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(c1ccc(Br)cc1)C1CCCCCC1
InChIInChI=1S/C18H28BrNO/c1-21-13-12-20-14-18(15-6-4-2-3-5-7-15)16-8-10-17(19)11-9-16/h8-11,15,18,20H,2-7,12-14H2,1H3
InChIKeyXXEUOBYNNFFJKN-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.74
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-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82934214
2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82937094
2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
CID 82933659
2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82936231
1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene
CID 82946371
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
2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82936076
3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 82933905
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
2-(3-bromophenyl)-2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)ethanamine
CID 79431152

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine (CID 82934143) is 2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine is COCCNCC(c1ccc(Br)cc1)C1CCCCCC1.
What is the InChIKey of 2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine?
The InChIKey is XXEUOBYNNFFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-21-13-12-20-14-18(15-6-4-2-3-5-7-15)16-8-10-17(19)11-9-16/h8-11,15,18,20H,2-7,12-14H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine?
2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine has a molecular weight of 354.33 g/mol, XLogP of 4.74, 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-cycloheptyl-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 82934143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).