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

C19H31NO — CID 104749049

IUPAC2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
SMILESCc1cc(C(C)(C)C)ccc1OCC(N)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-14-12-16(19(2,3)4)10-11-18(14)21-13-17(20)15-8-6-5-7-9-15/h10-12,15,17H,5-9,13,20H2,1-4H3
InChIKeyGKVVBPPAPUVPDV-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.58
Rot. Bonds4

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

2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine (PubChem CID 104749049) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
PubChem CID104749049
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
SMILESCc1cc(C(C)(C)C)ccc1OCC(N)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-14-12-16(19(2,3)4)10-11-18(14)21-13-17(20)15-8-6-5-7-9-15/h10-12,15,17H,5-9,13,20H2,1-4H3
InChIKeyGKVVBPPAPUVPDV-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butyl-2-methylphenoxy)-1-cyclopropylethanamine
CID 63907312
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372
1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine
CID 63914429
(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
CID 95252700
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
CID 162334204
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
1-(4-tert-butyl-2-methylphenoxy)-3,3-dimethylbutan-2-ol
CID 63467018
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
1-(4-tert-butyl-2-methylphenoxy)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 110020038

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine (CID 104749049) is 2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine is Cc1cc(C(C)(C)C)ccc1OCC(N)C1CCCCC1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine?
The InChIKey is GKVVBPPAPUVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-12-16(19(2,3)4)10-11-18(14)21-13-17(20)15-8-6-5-7-9-15/h10-12,15,17H,5-9,13,20H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine?
2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.58, 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-cyclohexylethanamine is sourced from PubChem (CID 104749049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).