2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine

C18H29NO — CID 62723981

IUPAC2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2ccccc2C)CCCCC1
InChIInChI=1S/C18H29NO/c1-16-8-4-5-9-17(16)14-18(10-6-3-7-11-18)15-19-12-13-20-2/h4-5,8-9,19H,3,6-7,10-15H2,1-2H3
InChIKeyBKLOEFLRAMIGPA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.72
Rot. Bonds7

About 2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine

2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 62723981) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID62723981
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2ccccc2C)CCCCC1
InChIInChI=1S/C18H29NO/c1-16-8-4-5-9-17(16)14-18(10-6-3-7-11-18)15-19-12-13-20-2/h4-5,8-9,19H,3,6-7,10-15H2,1-2H3
InChIKeyBKLOEFLRAMIGPA-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62725191
2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508203
2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
CID 62596033
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62723780
2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406
2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63509068
N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196722
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62726004
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62725210
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 105374968
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196229

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine (CID 62723981) is 2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine is COCCNCC1(Cc2ccccc2C)CCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is BKLOEFLRAMIGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-16-8-4-5-9-17(16)14-18(10-6-3-7-11-18)15-19-12-13-20-2/h4-5,8-9,19H,3,6-7,10-15H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine?
2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62723981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).