cyclooctyl-(3,5-dimethoxyphenyl)methanamine

C17H27NO2 — CID 80603608

IUPACcyclooctyl-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)C2CCCCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-19-15-10-14(11-16(12-15)20-2)17(18)13-8-6-4-3-5-7-9-13/h10-13,17H,3-9,18H2,1-2H3
InChIKeyDETWLRAQLURVPT-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.06
Rot. Bonds4

About cyclooctyl-(3,5-dimethoxyphenyl)methanamine

cyclooctyl-(3,5-dimethoxyphenyl)methanamine (PubChem CID 80603608) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is cyclooctyl-(3,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Namecyclooctyl-(3,5-dimethoxyphenyl)methanamine
PubChem CID80603608
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namecyclooctyl-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)C2CCCCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-19-15-10-14(11-16(12-15)20-2)17(18)13-8-6-4-3-5-7-9-13/h10-13,17H,3-9,18H2,1-2H3
InChIKeyDETWLRAQLURVPT-UHFFFAOYSA-N
XLogP4.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclooctyl-(3,5-dimethoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171227976
(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
CID 171162272
(R)-cyclopropyl-(3-fluoro-5-methoxyphenyl)methanamine
CID 55278948
[cyclooctyl-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105255192
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171219149
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171208388
(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171227973
(S)-cyclobutyl-(3,4,5-trimethoxyphenyl)methanamine
CID 171219146
cyclohexyl-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503026
1-cyclopentyl-2-(3,5-dimethoxyphenoxy)ethanamine
CID 104749121
2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207108

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(3,5-dimethoxyphenyl)methanamine?
The IUPAC name of cyclooctyl-(3,5-dimethoxyphenyl)methanamine (CID 80603608) is cyclooctyl-(3,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for cyclooctyl-(3,5-dimethoxyphenyl)methanamine?
The canonical SMILES for cyclooctyl-(3,5-dimethoxyphenyl)methanamine is COc1cc(OC)cc(C(N)C2CCCCCCC2)c1.
What is the InChIKey of cyclooctyl-(3,5-dimethoxyphenyl)methanamine?
The InChIKey is DETWLRAQLURVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-19-15-10-14(11-16(12-15)20-2)17(18)13-8-6-4-3-5-7-9-13/h10-13,17H,3-9,18H2,1-2H3.
What are the key properties of cyclooctyl-(3,5-dimethoxyphenyl)methanamine?
cyclooctyl-(3,5-dimethoxyphenyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(3,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 80603608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).