2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine

C13H20N2O — CID 80525289

IUPAC2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
SMILESCOCCNCC1(c2ccncc2)CCC1
InChIInChI=1S/C13H20N2O/c1-16-10-9-15-11-13(5-2-6-13)12-3-7-14-8-4-12/h3-4,7-8,15H,2,5-6,9-11H2,1H3
InChIKeyQQWMUDPLEPKFMU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.74
Rot. Bonds6

About 2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine

2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine (PubChem CID 80525289) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
PubChem CID80525289
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
SMILESCOCCNCC1(c2ccncc2)CCC1
InChIInChI=1S/C13H20N2O/c1-16-10-9-15-11-13(5-2-6-13)12-3-7-14-8-4-12/h3-4,7-8,15H,2,5-6,9-11H2,1H3
InChIKeyQQWMUDPLEPKFMU-UHFFFAOYSA-N
XLogP1.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.74
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-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine
CID 80525666
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62596223
N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
CID 80525156
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine
CID 80523629
N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62595001
2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008191
2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
CID 62596033
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62594975
2-(2-methoxyethylamino)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 119699125
N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine
CID 80525238

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine (CID 80525289) is 2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine is COCCNCC1(c2ccncc2)CCC1.
What is the InChIKey of 2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine?
The InChIKey is QQWMUDPLEPKFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-10-9-15-11-13(5-2-6-13)12-3-7-14-8-4-12/h3-4,7-8,15H,2,5-6,9-11H2,1H3.
What are the key properties of 2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine?
2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 80525289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).