2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine

C18H29NO — CID 106200984

IUPAC2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
SMILESCCNC(COCCC1CCC1)c1ccc(CC)cc1
InChIInChI=1S/C18H29NO/c1-3-15-8-10-17(11-9-15)18(19-4-2)14-20-13-12-16-6-5-7-16/h8-11,16,18-19H,3-7,12-14H2,1-2H3
InChIKeyVTHXBQAGKGBPMS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.11
Rot. Bonds9

About 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine

2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine (PubChem CID 106200984) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
PubChem CID106200984
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
SMILESCCNC(COCCC1CCC1)c1ccc(CC)cc1
InChIInChI=1S/C18H29NO/c1-3-15-8-10-17(11-9-15)18(19-4-2)14-20-13-12-16-6-5-7-16/h8-11,16,18-19H,3-7,12-14H2,1-2H3
InChIKeyVTHXBQAGKGBPMS-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 106200712
2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200742
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
2-(2-cyclopropylethoxy)-N-ethyl-1-naphthalen-2-ylethanamine
CID 106200656
2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 106201119
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
CID 103149543
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696
2-cyclobutyloxy-N-ethyl-1-(4-propylphenyl)ethanamine
CID 62116839
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
N-ethyl-1-(4-ethylphenyl)-3-methoxypropan-1-amine
CID 62542901

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine (CID 106200984) is 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine is CCNC(COCCC1CCC1)c1ccc(CC)cc1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine?
The InChIKey is VTHXBQAGKGBPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-15-8-10-17(11-9-15)18(19-4-2)14-20-13-12-16-6-5-7-16/h8-11,16,18-19H,3-7,12-14H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine?
2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 106200984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).