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

C18H29NO2 — CID 62596424

IUPAC2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
SMILESCOCCNCC1(c2ccccc2OC)CCCCCC1
InChIInChI=1S/C18H29NO2/c1-20-14-13-19-15-18(11-7-3-4-8-12-18)16-9-5-6-10-17(16)21-2/h5-6,9-10,19H,3-4,7-8,11-15H2,1-2H3
InChIKeyFQYACHHMRVOWBE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.52
Rot. Bonds7

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

2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine (PubChem CID 62596424) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
PubChem CID62596424
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
SMILESCOCCNCC1(c2ccccc2OC)CCCCCC1
InChIInChI=1S/C18H29NO2/c1-20-14-13-19-15-18(11-7-3-4-8-12-18)16-9-5-6-10-17(16)21-2/h5-6,9-10,19H,3-4,7-8,11-15H2,1-2H3
InChIKeyFQYACHHMRVOWBE-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.52
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

2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
CID 62596033
1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene
CID 84725137
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091858
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
N-[[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008448
[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
1-ethyl-3-(2-methoxyethyl)-2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]guanidine
CID 110939240
N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
CID 65353202
N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
CID 62595688
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine (CID 62596424) is 2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine is COCCNCC1(c2ccccc2OC)CCCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine?
The InChIKey is FQYACHHMRVOWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-20-14-13-19-15-18(11-7-3-4-8-12-18)16-9-5-6-10-17(16)21-2/h5-6,9-10,19H,3-4,7-8,11-15H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.52, 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-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 62596424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).