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

C17H27NO — CID 62596033

IUPAC2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(c2ccccc2C)CCCCC1
InChIInChI=1S/C17H27NO/c1-15-8-4-5-9-16(15)17(10-6-3-7-11-17)14-18-12-13-19-2/h4-5,8-9,18H,3,6-7,10-14H2,1-2H3
InChIKeyVDZCMKCTIYPPMO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.43
Rot. Bonds6

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

2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine (PubChem CID 62596033) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
PubChem CID62596033
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(c2ccccc2C)CCCCC1
InChIInChI=1S/C17H27NO/c1-15-8-4-5-9-16(15)17(10-6-3-7-11-17)14-18-12-13-19-2/h4-5,8-9,18H,3,6-7,10-14H2,1-2H3
InChIKeyVDZCMKCTIYPPMO-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.43
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

2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596424
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
CID 62596949
2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516825
N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62594744
2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62723981
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
CID 62595688
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid
CID 139017034
2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525289
N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007206

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine (CID 62596033) is 2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine is COCCNCC1(c2ccccc2C)CCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine?
The InChIKey is VDZCMKCTIYPPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15-8-4-5-9-16(15)17(10-6-3-7-11-17)14-18-12-13-19-2/h4-5,8-9,18H,3,6-7,10-14H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.43, 6 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)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62596033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).