1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine

C15H23NO — CID 115673846

IUPAC1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
SMILESCCC1(NCc2ccc(OC)c(C)c2)CCC1
InChIInChI=1S/C15H23NO/c1-4-15(8-5-9-15)16-11-13-6-7-14(17-3)12(2)10-13/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyULXPKFSKZVZKGT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.43
Rot. Bonds5

About 1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine

1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine (PubChem CID 115673846) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
PubChem CID115673846
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
SMILESCCC1(NCc2ccc(OC)c(C)c2)CCC1
InChIInChI=1S/C15H23NO/c1-4-15(8-5-9-15)16-11-13-6-7-14(17-3)12(2)10-13/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyULXPKFSKZVZKGT-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673745
[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 105401701
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733318
4-[[(1-ethylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978682
1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113248763
1-ethyl-N-(naphthalen-2-ylmethyl)cyclobutan-1-amine
CID 113488696
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879
[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 62519917
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine (CID 115673846) is 1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine is CCC1(NCc2ccc(OC)c(C)c2)CCC1.
What is the InChIKey of 1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is ULXPKFSKZVZKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-15(8-5-9-15)16-11-13-6-7-14(17-3)12(2)10-13/h6-7,10,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine?
1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115673846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).