1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol

C15H25NO — CID 60903668

IUPAC1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)Cc1ccc(C(O)CNC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-11(2)9-13-5-7-14(8-6-13)15(17)10-16-12(3)4/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyVNZXPMNZXVHFSX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.92
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol

1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol (PubChem CID 60903668) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
PubChem CID60903668
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)Cc1ccc(C(O)CNC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-11(2)9-13-5-7-14(8-6-13)15(17)10-16-12(3)4/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyVNZXPMNZXVHFSX-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]butan-1-ol
CID 83177309
(2S)-2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 79250497
1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
2-[(1-methoxy-3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 65048916
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
2-(hex-1-yn-3-ylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 106229712
1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
CID 83142065
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]cyclohexan-1-ol
CID 62358372

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol (CID 60903668) is 1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol is CC(C)Cc1ccc(C(O)CNC(C)C)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol?
The InChIKey is VNZXPMNZXVHFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)9-13-5-7-14(8-6-13)15(17)10-16-12(3)4/h5-8,11-12,15-17H,9-10H2,1-4H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol?
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol has a molecular weight of 235.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 60903668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).