1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine

C18H29NO — CID 114604774

IUPAC1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1ccccc1C1CCC1)C(C)(C)C
InChIInChI=1S/C18H29NO/c1-5-20-17(18(2,3)4)16(19)15-12-7-6-11-14(15)13-9-8-10-13/h6-7,11-13,16-17H,5,8-10,19H2,1-4H3
InChIKeyPZSRGVTXQSLAAJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.41
Rot. Bonds5

About 1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine

1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine (PubChem CID 114604774) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
PubChem CID114604774
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1ccccc1C1CCC1)C(C)(C)C
InChIInChI=1S/C18H29NO/c1-5-20-17(18(2,3)4)16(19)15-12-7-6-11-14(15)13-9-8-10-13/h6-7,11-13,16-17H,5,8-10,19H2,1-4H3
InChIKeyPZSRGVTXQSLAAJ-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutylphenyl)-2,2-diethoxyethanol
CID 114602355
1-(2-cyclobutylphenyl)-2-cyclopropyl-2-ethoxyethanol
CID 114602475
[1-(2-cyclobutylphenyl)-2-propylpentyl]hydrazine
CID 105341336
1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114604701
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111
1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725300
1-(2-cyclobutylphenyl)-1-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105240511
2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine
CID 116725171
(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 114603457
1-(2-cyclobutylphenyl)butane-1,2-diol
CID 103454593
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-ethoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine (CID 114604774) is 1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine is CCOC(C(N)c1ccccc1C1CCC1)C(C)(C)C.
What is the InChIKey of 1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The InChIKey is PZSRGVTXQSLAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-20-17(18(2,3)4)16(19)15-12-7-6-11-14(15)13-9-8-10-13/h6-7,11-13,16-17H,5,8-10,19H2,1-4H3.
What are the key properties of 1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.41, 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-ethoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114604774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).