1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine

C15H23NO — CID 114603153

IUPAC1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H23NO/c1-3-17-11(2)15(16)14-9-5-8-13(10-14)12-6-4-7-12/h5,8-12,15H,3-4,6-7,16H2,1-2H3
InChIKeyJVQIRZJKBIBAEK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.38
Rot. Bonds5

About 1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine

1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine (PubChem CID 114603153) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine
PubChem CID114603153
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H23NO/c1-3-17-11(2)15(16)14-9-5-8-13(10-14)12-6-4-7-12/h5,8-12,15H,3-4,6-7,16H2,1-2H3
InChIKeyJVQIRZJKBIBAEK-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine
CID 114604686
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
CID 114603248
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene
CID 174502600
1-(4-cyclobutylphenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720885
(3-cyclobutylphenyl)-(2-ethylphenyl)methanamine
CID 105053789

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine (CID 114603153) is 1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine is CCOC(C)C(N)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine?
The InChIKey is JVQIRZJKBIBAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-17-11(2)15(16)14-9-5-8-13(10-14)12-6-4-7-12/h5,8-12,15H,3-4,6-7,16H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine?
1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine is sourced from PubChem (CID 114603153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).