cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine

C18H29NO — CID 65018902

IUPACcyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
SMILESCCOc1ccc(C)cc1C(N)C1CCCCCCC1
InChIInChI=1S/C18H29NO/c1-3-20-17-12-11-14(2)13-16(17)18(19)15-9-7-5-4-6-8-10-15/h11-13,15,18H,3-10,19H2,1-2H3
InChIKeyPGZZBVZHYOIRCO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.75
Rot. Bonds4

About cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine

cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine (PubChem CID 65018902) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Namecyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
PubChem CID65018902
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Namecyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
SMILESCCOc1ccc(C)cc1C(N)C1CCCCCCC1
InChIInChI=1S/C18H29NO/c1-3-20-17-12-11-14(2)13-16(17)18(19)15-9-7-5-4-6-8-10-15/h11-13,15,18H,3-10,19H2,1-2H3
InChIKeyPGZZBVZHYOIRCO-UHFFFAOYSA-N
XLogP4.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
CID 83974493
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447510
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
cyclohexyl-(2-fluoro-4-methylphenyl)methanamine
CID 114981199
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(2-bromo-4-methylphenyl)-cyclohexylmethanamine
CID 114981605

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine?
The IUPAC name of cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine (CID 65018902) is cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine.
What is the SMILES notation for cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine?
The canonical SMILES for cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine is CCOc1ccc(C)cc1C(N)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine?
The InChIKey is PGZZBVZHYOIRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-20-17-12-11-14(2)13-16(17)18(19)15-9-7-5-4-6-8-10-15/h11-13,15,18H,3-10,19H2,1-2H3.
What are the key properties of cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine?
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 65018902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).