cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine

C18H29NO — CID 65018593

IUPACcyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine
SMILESCOCCc1ccc(C(N)C2CCCCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-20-14-13-15-9-11-17(12-10-15)18(19)16-7-5-3-2-4-6-8-16/h9-12,16,18H,2-8,13-14,19H2,1H3
InChIKeyAFSIVTDWMDPXBD-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds5

About cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine

cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine (PubChem CID 65018593) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine.

Molecular Properties

Compound Namecyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine
PubChem CID65018593
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Namecyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine
SMILESCOCCc1ccc(C(N)C2CCCCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-20-14-13-15-9-11-17(12-10-15)18(19)16-7-5-3-2-4-6-8-16/h9-12,16,18H,2-8,13-14,19H2,1H3
InChIKeyAFSIVTDWMDPXBD-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198323
(1,1-dioxothiolan-3-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 64906183
1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine
CID 104749060
(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
1-[chloro(cyclopropyl)methyl]-4-(2-methoxyethyl)benzene
CID 61084514
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
[4-(2-methoxyethyl)phenyl]-(1-methylcyclohexyl)methanamine
CID 106826782
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
1-cyclopropyl-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482389
methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
CID 171212686
(R)-cyclohexyl-(4-iodophenyl)methanamine
CID 171202889

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine?
The IUPAC name of cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine (CID 65018593) is cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine.
What is the SMILES notation for cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine?
The canonical SMILES for cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine is COCCc1ccc(C(N)C2CCCCCCC2)cc1.
What is the InChIKey of cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine?
The InChIKey is AFSIVTDWMDPXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-20-14-13-15-9-11-17(12-10-15)18(19)16-7-5-3-2-4-6-8-16/h9-12,16,18H,2-8,13-14,19H2,1H3.
What are the key properties of cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine?
cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine is sourced from PubChem (CID 65018593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).