2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine

C18H29NO2 — CID 62906628

IUPAC2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine
SMILESCOCCNCC1(CCCc2ccccc2)CCOCC1
InChIInChI=1S/C18H29NO2/c1-20-15-12-19-16-18(10-13-21-14-11-18)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,19H,5,8-16H2,1H3
InChIKeyCMAKZZUOZFRSQM-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.04
Rot. Bonds9

About 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine

2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine (PubChem CID 62906628) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine
PubChem CID62906628
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine
SMILESCOCCNCC1(CCCc2ccccc2)CCOCC1
InChIInChI=1S/C18H29NO2/c1-20-15-12-19-16-18(10-13-21-14-11-18)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,19H,5,8-16H2,1H3
InChIKeyCMAKZZUOZFRSQM-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905761
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 114933662
2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719041
[4-(3-phenylpropyl)oxan-4-yl]methanamine
CID 62906769
N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62904892
2-methoxy-N-[[4-(2-methylsulfonylethyl)oxan-4-yl]methyl]ethanamine
CID 62905763
2-methoxy-N-[[4-[(2-methyltetrazol-5-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 107053257
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
2-methoxy-N-[[3-[(4-methylphenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62718692
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 62905405
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 105374968
N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine
CID 62904851

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine (CID 62906628) is 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine is COCCNCC1(CCCc2ccccc2)CCOCC1.
What is the InChIKey of 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is CMAKZZUOZFRSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-20-15-12-19-16-18(10-13-21-14-11-18)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,19H,5,8-16H2,1H3.
What are the key properties of 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine?
2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 291.43 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62906628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).