2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine

C19H31NO — CID 103162901

IUPAC2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(CC1CC(OCC)C1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H31NO/c1-6-20-18(12-16-10-17(11-16)21-7-2)19-14(4)8-13(3)9-15(19)5/h8-9,16-18,20H,6-7,10-12H2,1-5H3
InChIKeyGBRDYPAWSOCGGA-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.47
Rot. Bonds7

About 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine

2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 103162901) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID103162901
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCNC(CC1CC(OCC)C1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H31NO/c1-6-20-18(12-16-10-17(11-16)21-7-2)19-14(4)8-13(3)9-15(19)5/h8-9,16-18,20H,6-7,10-12H2,1-5H3
InChIKeyGBRDYPAWSOCGGA-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)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

2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883381
1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162875
2-cyclobutyloxy-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62116834
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 103163180
2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 106682379
1-(3-bromo-4-fluorophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163219
1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162864
N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 103168245
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168260
1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene
CID 103165599

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 103162901) is 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine is CCNC(CC1CC(OCC)C1)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is GBRDYPAWSOCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-20-18(12-16-10-17(11-16)21-7-2)19-14(4)8-13(3)9-15(19)5/h8-9,16-18,20H,6-7,10-12H2,1-5H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 103162901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).