1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine

C15H23NO — CID 113248763

IUPAC1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
SMILESCCC1(NCc2cccc(COC)c2)CCC1
InChIInChI=1S/C15H23NO/c1-3-15(8-5-9-15)16-11-13-6-4-7-14(10-13)12-17-2/h4,6-7,10,16H,3,5,8-9,11-12H2,1-2H3
InChIKeyOXPKAZPSHVNRBM-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.26
Rot. Bonds6

About 1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine

1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine (PubChem CID 113248763) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
PubChem CID113248763
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
SMILESCCC1(NCc2cccc(COC)c2)CCC1
InChIInChI=1S/C15H23NO/c1-3-15(8-5-9-15)16-11-13-6-4-7-14(10-13)12-17-2/h4,6-7,10,16H,3,5,8-9,11-12H2,1-2H3
InChIKeyOXPKAZPSHVNRBM-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid
CID 136541376
1-ethyl-N-(naphthalen-2-ylmethyl)cyclobutan-1-amine
CID 113488696
1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 115673846
N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673745
4-[[(1-ethylcyclobutyl)amino]methyl]phenol
CID 115978684
4-[[(1-ethylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978682
1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine
CID 117282705
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 115437615
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine (CID 113248763) is 1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine is CCC1(NCc2cccc(COC)c2)CCC1.
What is the InChIKey of 1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine?
The InChIKey is OXPKAZPSHVNRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-15(8-5-9-15)16-11-13-6-4-7-14(10-13)12-17-2/h4,6-7,10,16H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of 1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine?
1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 113248763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).