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

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Related Compounds

[4-(4-Phenylpiperazin-1-yl)oxan-4-yl]methanamine
CID 43608688
1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine
CID 97327924
4-Fluoro-N2-(cis-3-methoxycyclobutyl)benzene-1,2-diamine
CID 68157135
4-fluoro-2-N-[(3-methoxycyclobutyl)methyl]benzene-1,2-diamine
CID 163736570
N-(3-ethoxypropyl)aniline
CID 62565390
N-methyl-N-(oxolan-3-ylmethyl)aniline
CID 3771817
N-(4-methoxypentyl)aniline
CID 104161004
[4-[4-(4-Fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 43608690
N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
CID 55056138
N-ethyl-3-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
CID 55056185
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 55056390
3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
CID 55056438

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).