1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine

C18H29NO — CID 114604701

IUPAC1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1ccccc1C1CCC1
InChIInChI=1S/C18H29NO/c1-4-9-17(20-5-2)18(19-3)16-13-7-6-12-15(16)14-10-8-11-14/h6-7,12-14,17-19H,4-5,8-11H2,1-3H3
InChIKeyBOPCSHHRZWLINL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.42
Rot. Bonds8

About 1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine

1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine (PubChem CID 114604701) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
PubChem CID114604701
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1ccccc1C1CCC1
InChIInChI=1S/C18H29NO/c1-4-9-17(20-5-2)18(19-3)16-13-7-6-12-15(16)14-10-8-11-14/h6-7,12-14,17-19H,4-5,8-11H2,1-3H3
InChIKeyBOPCSHHRZWLINL-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
[1-(2-cyclobutylphenyl)-2-propylpentyl]hydrazine
CID 105341336
1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine
CID 114603918
1-(2-cyclobutylphenyl)-2,2-diethoxyethanol
CID 114602355
1-(2-cyclobutylphenyl)-N-methylheptan-1-amine
CID 105052148
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114522243
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
1-(2-cyclobutylphenyl)-2-cyclopropyl-2-ethoxyethanol
CID 114602475
1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 114604774
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 116717728
1-(2-cyclobutylphenyl)-N-methyl-2-phenoxyethanamine
CID 114602891

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine (CID 114604701) is 1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine is CCCC(OCC)C(NC)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine?
The InChIKey is BOPCSHHRZWLINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-9-17(20-5-2)18(19-3)16-13-7-6-12-15(16)14-10-8-11-14/h6-7,12-14,17-19H,4-5,8-11H2,1-3H3.
What are the key properties of 1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine?
1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.42, 8 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-N-methylpentan-1-amine is sourced from PubChem (CID 114604701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).