1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine

C18H28BrNO — CID 65433147

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
SMILESCNC(c1cc(Br)c(C)cc1OC)C1CCCCCCC1
InChIInChI=1S/C18H28BrNO/c1-13-11-17(21-3)15(12-16(13)19)18(20-2)14-9-7-5-4-6-8-10-14/h11-12,14,18,20H,4-10H2,1-3H3
InChIKeyCWOGGXRDPQETFC-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.39
Rot. Bonds4

About 1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine

1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine (PubChem CID 65433147) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
PubChem CID65433147
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
SMILESCNC(c1cc(Br)c(C)cc1OC)C1CCCCCCC1
InChIInChI=1S/C18H28BrNO/c1-13-11-17(21-3)15(12-16(13)19)18(20-2)14-9-7-5-4-6-8-10-14/h11-12,14,18,20H,4-10H2,1-3H3
InChIKeyCWOGGXRDPQETFC-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 63509267
(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
CID 65440297
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825292
1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951266
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027806
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-bromo-2,5-dimethoxyphenyl)-N-methylmethanamine
CID 105056754
1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589052
[cyclooctyl-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105255236
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine (CID 65433147) is 1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine is CNC(c1cc(Br)c(C)cc1OC)C1CCCCCCC1.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine?
The InChIKey is CWOGGXRDPQETFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-13-11-17(21-3)15(12-16(13)19)18(20-2)14-9-7-5-4-6-8-10-14/h11-12,14,18,20H,4-10H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine?
1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine has a molecular weight of 354.33 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine is sourced from PubChem (CID 65433147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).