2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol

C15H25NO — CID 62773195

IUPAC2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-6-16-11-15(5,17)13-9-7-12(8-10-13)14(2,3)4/h7-10,16-17H,6,11H2,1-5H3
InChIKeyRPSUCCVZPDYHPP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol

2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol (PubChem CID 62773195) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
PubChem CID62773195
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-6-16-11-15(5,17)13-9-7-12(8-10-13)14(2,3)4/h7-10,16-17H,6,11H2,1-5H3
InChIKeyRPSUCCVZPDYHPP-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773970
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
1-(ethylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704574
2-(2-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773972
1-(4-tert-butylanilino)-2-phenylpropan-2-ol
CID 62373659
4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol
CID 163265601
1-(ethylamino)-2-(2,4,6-trimethylphenyl)propan-2-ol
CID 62773393
1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 66039376
2-(2,6-difluoro-3-methylphenyl)-1-(ethylamino)propan-2-ol
CID 82828009
2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol (CID 62773195) is 2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol is CCNCC(C)(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol?
The InChIKey is RPSUCCVZPDYHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16-11-15(5,17)13-9-7-12(8-10-13)14(2,3)4/h7-10,16-17H,6,11H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol?
2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol is sourced from PubChem (CID 62773195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).