2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine

C16H24BrNO — CID 62109896

IUPAC2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
SMILESCNCC(OC1CCCCCC1)c1ccccc1Br
InChIInChI=1S/C16H24BrNO/c1-18-12-16(14-10-6-7-11-15(14)17)19-13-8-4-2-3-5-9-13/h6-7,10-11,13,16,18H,2-5,8-9,12H2,1H3
InChIKeyVROHIAUREGXPDF-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.45
Rot. Bonds5

About 2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine

2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine (PubChem CID 62109896) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
PubChem CID62109896
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
SMILESCNCC(OC1CCCCCC1)c1ccccc1Br
InChIInChI=1S/C16H24BrNO/c1-18-12-16(14-10-6-7-11-15(14)17)19-13-8-4-2-3-5-9-13/h6-7,10-11,13,16,18H,2-5,8-9,12H2,1H3
InChIKeyVROHIAUREGXPDF-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine
CID 64732436
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973
N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63474611
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052
2-(2-bromophenyl)-2-methoxy-N-methylethanamine
CID 62106932
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
2-cycloheptyloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62109055
N-[2-cyclohexyloxy-2-(2-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 62106464
2-(2-chlorophenyl)-2-cyclohexyloxy-N-ethylethanamine
CID 62108606
N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 62383669
2-(2-fluorophenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 62107035
N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine
CID 63474322

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine (CID 62109896) is 2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine is CNCC(OC1CCCCCC1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine?
The InChIKey is VROHIAUREGXPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-18-12-16(14-10-6-7-11-15(14)17)19-13-8-4-2-3-5-9-13/h6-7,10-11,13,16,18H,2-5,8-9,12H2,1H3.
What are the key properties of 2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine?
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine is sourced from PubChem (CID 62109896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).