1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine

C17H26ClNO — CID 80604128

IUPAC1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)C1CCCCCCC1
InChIInChI=1S/C17H26ClNO/c1-19-17(13-8-6-4-3-5-7-9-13)14-10-11-15(18)16(12-14)20-2/h10-13,17,19H,3-9H2,1-2H3
InChIKeyBXOAYKQZCJDOHA-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.97
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine

1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine (PubChem CID 80604128) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
PubChem CID80604128
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)C1CCCCCCC1
InChIInChI=1S/C17H26ClNO/c1-19-17(13-8-6-4-3-5-7-9-13)14-10-11-15(18)16(12-14)20-2/h10-13,17,19H,3-9H2,1-2H3
InChIKeyBXOAYKQZCJDOHA-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575
1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131204
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
CID 116722171
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
[6-bicyclo[3.1.0]hexanyl-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320826
[cyclohexyl-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105281985
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine (CID 80604128) is 1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine is CNC(c1ccc(Cl)c(OC)c1)C1CCCCCCC1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine?
The InChIKey is BXOAYKQZCJDOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-19-17(13-8-6-4-3-5-7-9-13)14-10-11-15(18)16(12-14)20-2/h10-13,17,19H,3-9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine?
1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine is sourced from PubChem (CID 80604128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).