1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine

C15H23NO2 — CID 154764668

IUPAC1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCOC1CC(CNCc2ccccc2OC)C1
InChIInChI=1S/C15H23NO2/c1-3-18-14-8-12(9-14)10-16-11-13-6-4-5-7-15(13)17-2/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeySROBBTQUUSBCBC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.60
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine

1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine (PubChem CID 154764668) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine
PubChem CID154764668
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCOC1CC(CNCc2ccccc2OC)C1
InChIInChI=1S/C15H23NO2/c1-3-18-14-8-12(9-14)10-16-11-13-6-4-5-7-15(13)17-2/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeySROBBTQUUSBCBC-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 60817584
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-[(2-methoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856631
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709
N-[(2-methoxyphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 60733536
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129789

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine (CID 154764668) is 1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine is CCOC1CC(CNCc2ccccc2OC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The InChIKey is SROBBTQUUSBCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-14-8-12(9-14)10-16-11-13-6-4-5-7-15(13)17-2/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine?
1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-[(2-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 154764668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).