4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline

C15H24N2O — CID 112553007

IUPAC4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
SMILESCCOC1CC(NCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C15H24N2O/c1-4-18-15-9-13(10-15)16-11-12-5-7-14(8-6-12)17(2)3/h5-8,13,15-16H,4,9-11H2,1-3H3
InChIKeyDYPGHEICDWJPLA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.41
Rot. Bonds6

About 4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline

4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline (PubChem CID 112553007) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
PubChem CID112553007
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
SMILESCCOC1CC(NCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C15H24N2O/c1-4-18-15-9-13(10-15)16-11-12-5-7-14(8-6-12)17(2)3/h5-8,13,15-16H,4,9-11H2,1-3H3
InChIKeyDYPGHEICDWJPLA-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610336
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline
CID 64500811
3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
CID 103270597
4-[[(3-ethoxycyclobutyl)amino]methyl]-2-fluoroaniline
CID 114119839
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531
1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 112561855
3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
CID 103920966
4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
CID 103917436
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610287
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline (CID 112553007) is 4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline is CCOC1CC(NCc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline?
The InChIKey is DYPGHEICDWJPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-18-15-9-13(10-15)16-11-12-5-7-14(8-6-12)17(2)3/h5-8,13,15-16H,4,9-11H2,1-3H3.
What are the key properties of 4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline?
4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 112553007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).