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

C14H22N2O — CID 106822170

IUPACN-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline
SMILESCCOC1CC(CN)(Nc2cccc(C)c2)C1
InChIInChI=1S/C14H22N2O/c1-3-17-13-8-14(9-13,10-15)16-12-6-4-5-11(2)7-12/h4-7,13,16H,3,8-10,15H2,1-2H3
InChIKeyFMGYTMDLPBSOCS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.30
Rot. Bonds5

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

N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline (PubChem CID 106822170) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline
PubChem CID106822170
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline
SMILESCCOC1CC(CN)(Nc2cccc(C)c2)C1
InChIInChI=1S/C14H22N2O/c1-3-17-13-8-14(9-13,10-15)16-12-6-4-5-11(2)7-12/h4-7,13,16H,3,8-10,15H2,1-2H3
InChIKeyFMGYTMDLPBSOCS-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
CID 65377574
N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-3-methylaniline
CID 81321624
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
CID 65378408
3-(aminomethyl)-N-(3-methoxyphenyl)-5-methylthiolan-3-amine
CID 79950466
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
CID 21193427
1-anilino-3-ethoxycyclobutane-1-carboxylic acid
CID 106822581
ethyl 2,3-dimethyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 64754340
ethyl 3-(3-methylanilino)-1-azabicyclo[2.2.2]octane-3-carboxylate
CID 60994503
3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide
CID 103563298
[1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 103170383

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline (CID 106822170) is N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline is CCOC1CC(CN)(Nc2cccc(C)c2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline?
The InChIKey is FMGYTMDLPBSOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-13-8-14(9-13,10-15)16-12-6-4-5-11(2)7-12/h4-7,13,16H,3,8-10,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline?
N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline is sourced from PubChem (CID 106822170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).