N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline

C14H22N2O — CID 106821670

IUPACN-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline
SMILESCCOC1CC(CN)(N(C)c2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-3-17-13-9-14(10-13,11-15)16(2)12-7-5-4-6-8-12/h4-8,13H,3,9-11,15H2,1-2H3
InChIKeyBCGJKCLRIIRSRQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds5

About N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline

N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline (PubChem CID 106821670) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline
PubChem CID106821670
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline
SMILESCCOC1CC(CN)(N(C)c2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-3-17-13-9-14(10-13,11-15)16(2)12-7-5-4-6-8-12/h4-8,13H,3,9-11,15H2,1-2H3
InChIKeyBCGJKCLRIIRSRQ-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline (CID 106821670) is N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline is CCOC1CC(CN)(N(C)c2ccccc2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline?
The InChIKey is BCGJKCLRIIRSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-13-9-14(10-13,11-15)16(2)12-7-5-4-6-8-12/h4-8,13H,3,9-11,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline?
N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline is sourced from PubChem (CID 106821670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).