(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine

C17H26BrNO — CID 65440297

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
SMILESCOc1cc(C)c(Br)cc1C(N)C1CCCCCCC1
InChIInChI=1S/C17H26BrNO/c1-12-10-16(20-2)14(11-15(12)18)17(19)13-8-6-4-3-5-7-9-13/h10-11,13,17H,3-9,19H2,1-2H3
InChIKeyCLPAZRRMLQXEGN-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.13
Rot. Bonds3

About (5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine

(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine (PubChem CID 65440297) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
PubChem CID65440297
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
SMILESCOc1cc(C)c(Br)cc1C(N)C1CCCCCCC1
InChIInChI=1S/C17H26BrNO/c1-12-10-16(20-2)14(11-15(12)18)17(19)13-8-6-4-3-5-7-9-13/h10-11,13,17H,3-9,19H2,1-2H3
InChIKeyCLPAZRRMLQXEGN-UHFFFAOYSA-N
XLogP5.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65433147
1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
CID 65439927
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
2-[(R)-amino(cyclohexyl)methyl]-4-bromo-6-methoxyphenol
CID 171212893
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine (CID 65440297) is (5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine is COc1cc(C)c(Br)cc1C(N)C1CCCCCCC1.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine?
The InChIKey is CLPAZRRMLQXEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-12-10-16(20-2)14(11-15(12)18)17(19)13-8-6-4-3-5-7-9-13/h10-11,13,17H,3-9,19H2,1-2H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine?
(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine has a molecular weight of 340.31 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine is sourced from PubChem (CID 65440297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).