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

C16H25NO — CID 114604686

IUPAC1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine
SMILESCCOC(CC)C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H25NO/c1-3-15(18-4-2)16(17)14-10-6-9-13(11-14)12-7-5-8-12/h6,9-12,15-16H,3-5,7-8,17H2,1-2H3
InChIKeySWBQTGWRMSYIDQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.77
Rot. Bonds6

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

1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine (PubChem CID 114604686) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine
PubChem CID114604686
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine
SMILESCCOC(CC)C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H25NO/c1-3-15(18-4-2)16(17)14-10-6-9-13(11-14)12-7-5-8-12/h6,9-12,15-16H,3-5,7-8,17H2,1-2H3
InChIKeySWBQTGWRMSYIDQ-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine
CID 114603153
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696
2-ethoxy-1-(3-methylphenyl)butan-1-amine
CID 116716374
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
2-ethoxy-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116716401
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
CID 114603248
(3-cyclobutylphenyl)-(2-ethylphenyl)methanamine
CID 105053789
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine (CID 114604686) is 1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine is CCOC(CC)C(N)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine?
The InChIKey is SWBQTGWRMSYIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-15(18-4-2)16(17)14-10-6-9-13(11-14)12-7-5-8-12/h6,9-12,15-16H,3-5,7-8,17H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine?
1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine is sourced from PubChem (CID 114604686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).