2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine

C17H27NO2 — CID 62596604

IUPAC2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C17H27NO2/c1-19-13-12-18-14-17(10-4-3-5-11-17)15-6-8-16(20-2)9-7-15/h6-9,18H,3-5,10-14H2,1-2H3
InChIKeyWSXQPXMPCSLZFX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.13
Rot. Bonds7

About 2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine

2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine (PubChem CID 62596604) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
PubChem CID62596604
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C17H27NO2/c1-19-13-12-18-14-17(10-4-3-5-11-17)15-6-8-16(20-2)9-7-15/h6-9,18H,3-5,10-14H2,1-2H3
InChIKeyWSXQPXMPCSLZFX-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525289
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62596223
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596424
2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
CID 62596033
2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008191
1-[3-(2-methoxyethoxy)propyl]-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-methylguanidine;hydroiodide
CID 111405924
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine (CID 62596604) is 2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine is COCCNCC1(c2ccc(OC)cc2)CCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine?
The InChIKey is WSXQPXMPCSLZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-19-13-12-18-14-17(10-4-3-5-11-17)15-6-8-16(20-2)9-7-15/h6-9,18H,3-5,10-14H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine?
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62596604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).