2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine

C17H27NO — CID 103168825

IUPAC2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCCOC1CC(CC(N)c2cc(C)c(C)cc2C)C1
InChIInChI=1S/C17H27NO/c1-5-19-15-8-14(9-15)10-17(18)16-7-12(3)11(2)6-13(16)4/h6-7,14-15,17H,5,8-10,18H2,1-4H3
InChIKeyMIDVRULVMJIMOB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.82
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine

2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 103168825) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID103168825
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCCOC1CC(CC(N)c2cc(C)c(C)cc2C)C1
InChIInChI=1S/C17H27NO/c1-5-19-15-8-14(9-15)10-17(18)16-7-12(3)11(2)6-13(16)4/h6-7,14-15,17H,5,8-10,18H2,1-4H3
InChIKeyMIDVRULVMJIMOB-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 103163178
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103162727
1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 107562011
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103162744
1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene
CID 103165599
1-(2,4-difluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165491
2,5-dibromo-3-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]thiophene
CID 103165824
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165503
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103169245
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine (CID 103168825) is 2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine is CCOC1CC(CC(N)c2cc(C)c(C)cc2C)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is MIDVRULVMJIMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-19-15-8-14(9-15)10-17(18)16-7-12(3)11(2)6-13(16)4/h6-7,14-15,17H,5,8-10,18H2,1-4H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine?
2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 103168825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).