1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine

C15H23NO — CID 114603918

IUPAC1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine
SMILESCNC(c1ccccc1C1CCC1)C(C)OC
InChIInChI=1S/C15H23NO/c1-11(17-3)15(16-2)14-10-5-4-9-13(14)12-7-6-8-12/h4-5,9-12,15-16H,6-8H2,1-3H3
InChIKeyDCNBTZBIAJFHAW-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.25
Rot. Bonds5

About 1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine

1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine (PubChem CID 114603918) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine
PubChem CID114603918
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine
SMILESCNC(c1ccccc1C1CCC1)C(C)OC
InChIInChI=1S/C15H23NO/c1-11(17-3)15(16-2)14-10-5-4-9-13(14)12-7-6-8-12/h4-5,9-12,15-16H,6-8H2,1-3H3
InChIKeyDCNBTZBIAJFHAW-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114604701
1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066142
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232
1-(6-bicyclo[3.1.0]hexanyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052166
methyl 2-(2-cyclobutylphenyl)-3-methylbutanoate
CID 114605730
1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 114602530
1-(2-cyclobutylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105052427
1-(3-chlorobutan-2-yl)-2-cyclobutylbenzene
CID 114605798
1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 114602710
1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 105052388

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine (CID 114603918) is 1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine is CNC(c1ccccc1C1CCC1)C(C)OC.
What is the InChIKey of 1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine?
The InChIKey is DCNBTZBIAJFHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(17-3)15(16-2)14-10-5-4-9-13(14)12-7-6-8-12/h4-5,9-12,15-16H,6-8H2,1-3H3.
What are the key properties of 1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine?
1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 114603918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).