2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine

C16H25NO — CID 63907312

IUPAC2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine
SMILESCc1cc(C(C)(C)C)ccc1OCC(N)C1CC1
InChIInChI=1S/C16H25NO/c1-11-9-13(16(2,3)4)7-8-15(11)18-10-14(17)12-5-6-12/h7-9,12,14H,5-6,10,17H2,1-4H3
InChIKeyFASNBYWJMCPNPH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds4

About 2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine

2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine (PubChem CID 63907312) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine
PubChem CID63907312
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine
SMILESCc1cc(C(C)(C)C)ccc1OCC(N)C1CC1
InChIInChI=1S/C16H25NO/c1-11-9-13(16(2,3)4)7-8-15(11)18-10-14(17)12-5-6-12/h7-9,12,14H,5-6,10,17H2,1-4H3
InChIKeyFASNBYWJMCPNPH-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
CID 104749049
1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine
CID 63914429
(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
CID 95252700
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
1-(4-tert-butyl-2-methylphenoxy)-3,3-dimethylbutan-2-ol
CID 63467018
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
3-(4-tert-butyl-2-methylphenoxy)-2-methylpropanenitrile
CID 43367500
(2R)-1-(4-tert-butyl-2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2086476
1-(4-tert-butyl-2-methylphenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 110020038
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161
1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol
CID 65213115

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine (CID 63907312) is 2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine is Cc1cc(C(C)(C)C)ccc1OCC(N)C1CC1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine?
The InChIKey is FASNBYWJMCPNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-9-13(16(2,3)4)7-8-15(11)18-10-14(17)12-5-6-12/h7-9,12,14H,5-6,10,17H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine?
2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine is sourced from PubChem (CID 63907312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).