1-[(2-bromophenyl)methyl]cyclooctan-1-amine

C15H22BrN — CID 80603079

IUPAC1-[(2-bromophenyl)methyl]cyclooctan-1-amine
SMILESNC1(Cc2ccccc2Br)CCCCCCC1
InChIInChI=1S/C15H22BrN/c16-14-9-5-4-8-13(14)12-15(17)10-6-2-1-3-7-11-15/h4-5,8-9H,1-3,6-7,10-12,17H2
InChIKeyQUUAIGFHFNTCDN-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.43
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]cyclooctan-1-amine

1-[(2-bromophenyl)methyl]cyclooctan-1-amine (PubChem CID 80603079) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]cyclooctan-1-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]cyclooctan-1-amine
PubChem CID80603079
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-[(2-bromophenyl)methyl]cyclooctan-1-amine
SMILESNC1(Cc2ccccc2Br)CCCCCCC1
InChIInChI=1S/C15H22BrN/c16-14-9-5-4-8-13(14)12-15(17)10-6-2-1-3-7-11-15/h4-5,8-9H,1-3,6-7,10-12,17H2
InChIKeyQUUAIGFHFNTCDN-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080509
1-bromo-2-[(1-fluorocyclohexyl)methyl]benzene
CID 84730094
2-[(2-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 54919338
1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086943
1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
CID 80603906
1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758604
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733966
1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513879
6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
CID 79330967
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
2-[(2-bromophenyl)methyl]-2-ethylpiperidine
CID 115058886

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]cyclooctan-1-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]cyclooctan-1-amine (CID 80603079) is 1-[(2-bromophenyl)methyl]cyclooctan-1-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]cyclooctan-1-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]cyclooctan-1-amine is NC1(Cc2ccccc2Br)CCCCCCC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]cyclooctan-1-amine?
The InChIKey is QUUAIGFHFNTCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c16-14-9-5-4-8-13(14)12-15(17)10-6-2-1-3-7-11-15/h4-5,8-9H,1-3,6-7,10-12,17H2.
What are the key properties of 1-[(2-bromophenyl)methyl]cyclooctan-1-amine?
1-[(2-bromophenyl)methyl]cyclooctan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]cyclooctan-1-amine is sourced from PubChem (CID 80603079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).