2-(3-bromophenyl)-2-propan-2-ylazepane

C15H22BrN — CID 115059411

IUPAC2-(3-bromophenyl)-2-propan-2-ylazepane
SMILESCC(C)C1(c2cccc(Br)c2)CCCCCN1
InChIInChI=1S/C15H22BrN/c1-12(2)15(9-4-3-5-10-17-15)13-7-6-8-14(16)11-13/h6-8,11-12,17H,3-5,9-10H2,1-2H3
InChIKeyUKGZDBWNDDPOLK-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.46
Rot. Bonds2

About 2-(3-bromophenyl)-2-propan-2-ylazepane

2-(3-bromophenyl)-2-propan-2-ylazepane (PubChem CID 115059411) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-propan-2-ylazepane.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-propan-2-ylazepane
PubChem CID115059411
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name2-(3-bromophenyl)-2-propan-2-ylazepane
SMILESCC(C)C1(c2cccc(Br)c2)CCCCCN1
InChIInChI=1S/C15H22BrN/c1-12(2)15(9-4-3-5-10-17-15)13-7-6-8-14(16)11-13/h6-8,11-12,17H,3-5,9-10H2,1-2H3
InChIKeyUKGZDBWNDDPOLK-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-2-propan-2-ylpiperidine
CID 115058678
2-(3-cyclobutylphenyl)-2-propan-2-ylazepane
CID 114603856
2-(3-cyclopropyloxyphenyl)-2-propan-2-ylazepane
CID 114521875
2-propan-2-yl-2-(4-propan-2-ylphenyl)azepane
CID 79116630
2-(3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 66465151
2-(2,6-difluorophenyl)-2-propan-2-ylazepane
CID 79118040
4-(2-propan-2-ylpiperidin-2-yl)phenol
CID 115058712
2-(3-bromophenyl)-2-propylpiperidine
CID 115058689
4-(2-propan-2-ylpyrrolidin-2-yl)phenol
CID 115058626
2-(3,4-dimethoxyphenyl)-2-propan-2-ylpyrrolidine
CID 66467199
2-propan-2-yl-2-thiophen-2-ylpiperidine
CID 117271337
2-(2,4-difluorophenyl)-2-propan-2-ylazepane
CID 79116821

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-propan-2-ylazepane?
The IUPAC name of 2-(3-bromophenyl)-2-propan-2-ylazepane (CID 115059411) is 2-(3-bromophenyl)-2-propan-2-ylazepane.
What is the SMILES notation for 2-(3-bromophenyl)-2-propan-2-ylazepane?
The canonical SMILES for 2-(3-bromophenyl)-2-propan-2-ylazepane is CC(C)C1(c2cccc(Br)c2)CCCCCN1.
What is the InChIKey of 2-(3-bromophenyl)-2-propan-2-ylazepane?
The InChIKey is UKGZDBWNDDPOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12(2)15(9-4-3-5-10-17-15)13-7-6-8-14(16)11-13/h6-8,11-12,17H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-2-propan-2-ylazepane?
2-(3-bromophenyl)-2-propan-2-ylazepane has a molecular weight of 296.25 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-propan-2-ylazepane is sourced from PubChem (CID 115059411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).