cyclooctyl-(2,5-dibromophenyl)methanamine

C15H21Br2N — CID 65018447

IUPACcyclooctyl-(2,5-dibromophenyl)methanamine
SMILESNC(c1cc(Br)ccc1Br)C1CCCCCCC1
InChIInChI=1S/C15H21Br2N/c16-12-8-9-14(17)13(10-12)15(18)11-6-4-2-1-3-5-7-11/h8-11,15H,1-7,18H2
InChIKeyXGPNBSBPAJZCRT-UHFFFAOYSA-N
MW375.15 g/mol
LogP5.57
Rot. Bonds2

About cyclooctyl-(2,5-dibromophenyl)methanamine

cyclooctyl-(2,5-dibromophenyl)methanamine (PubChem CID 65018447) has the molecular formula C15H21Br2N and a molecular weight of 375.15 g/mol. Its IUPAC name is cyclooctyl-(2,5-dibromophenyl)methanamine.

Molecular Properties

Compound Namecyclooctyl-(2,5-dibromophenyl)methanamine
PubChem CID65018447
Molecular FormulaC15H21Br2N
Molecular Weight375.15 g/mol
Exact Mass373.00
IUPAC Namecyclooctyl-(2,5-dibromophenyl)methanamine
SMILESNC(c1cc(Br)ccc1Br)C1CCCCCCC1
InChIInChI=1S/C15H21Br2N/c16-12-8-9-14(17)13(10-12)15(18)11-6-4-2-1-3-5-7-11/h8-11,15H,1-7,18H2
InChIKeyXGPNBSBPAJZCRT-UHFFFAOYSA-N
XLogP5.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.15
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol
CID 131272939
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(2,5-dibromophenyl)methanamine?
The IUPAC name of cyclooctyl-(2,5-dibromophenyl)methanamine (CID 65018447) is cyclooctyl-(2,5-dibromophenyl)methanamine.
What is the SMILES notation for cyclooctyl-(2,5-dibromophenyl)methanamine?
The canonical SMILES for cyclooctyl-(2,5-dibromophenyl)methanamine is NC(c1cc(Br)ccc1Br)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-(2,5-dibromophenyl)methanamine?
The InChIKey is XGPNBSBPAJZCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2N/c16-12-8-9-14(17)13(10-12)15(18)11-6-4-2-1-3-5-7-11/h8-11,15H,1-7,18H2.
What are the key properties of cyclooctyl-(2,5-dibromophenyl)methanamine?
cyclooctyl-(2,5-dibromophenyl)methanamine has a molecular weight of 375.15 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(2,5-dibromophenyl)methanamine is sourced from PubChem (CID 65018447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).