2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine

C15H25NO — CID 170888098

IUPAC2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine
SMILESCCOc1cc(CCN)c(C)cc1C(C)(C)C
InChIInChI=1S/C15H25NO/c1-6-17-14-10-12(7-8-16)11(2)9-13(14)15(3,4)5/h9-10H,6-8,16H2,1-5H3
InChIKeyKAMALYUIVFXOIH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine

2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine (PubChem CID 170888098) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine
PubChem CID170888098
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine
SMILESCCOc1cc(CCN)c(C)cc1C(C)(C)C
InChIInChI=1S/C15H25NO/c1-6-17-14-10-12(7-8-16)11(2)9-13(14)15(3,4)5/h9-10H,6-8,16H2,1-5H3
InChIKeyKAMALYUIVFXOIH-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butyl-5-methoxy-2-methylphenyl)butan-1-amine
CID 117377717
2-(2-ethoxy-4,5-difluorophenyl)ethanamine
CID 83880849
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170889912
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364
2-(6-ethoxy-7-methoxy-2,3-dihydro-1H-inden-4-yl)ethanamine
CID 54428701
2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380765
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499
3-(2-aminoethyl)-4-ethoxybenzoic acid
CID 82052276
2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 170888274

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine (CID 170888098) is 2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine is CCOc1cc(CCN)c(C)cc1C(C)(C)C.
What is the InChIKey of 2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine?
The InChIKey is KAMALYUIVFXOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-17-14-10-12(7-8-16)11(2)9-13(14)15(3,4)5/h9-10H,6-8,16H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine?
2-(4-tert-butyl-5-ethoxy-2-methylphenyl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.19, 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-5-ethoxy-2-methylphenyl)ethanamine is sourced from PubChem (CID 170888098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).