1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol

C19H33NO — CID 83142065

IUPAC1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
SMILESCC(C)Cc1ccc(C(O)CNCC(C)C(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-14(2)11-16-7-9-17(10-8-16)18(21)13-20-12-15(3)19(4,5)6/h7-10,14-15,18,20-21H,11-13H2,1-6H3
InChIKeyOZCHWYAQSCOFBX-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.19
Rot. Bonds7

About 1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol

1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol (PubChem CID 83142065) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
PubChem CID83142065
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
SMILESCC(C)Cc1ccc(C(O)CNCC(C)C(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-14(2)11-16-7-9-17(10-8-16)18(21)13-20-12-15(3)19(4,5)6/h7-10,14-15,18,20-21H,11-13H2,1-6H3
InChIKeyOZCHWYAQSCOFBX-UHFFFAOYSA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
4-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 66091850
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 106188249
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
CID 106130457
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399
(2S)-2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 79250497
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol
CID 106160005
3-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]butan-1-ol
CID 83177309

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol (CID 83142065) is 1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol is CC(C)Cc1ccc(C(O)CNCC(C)C(C)(C)C)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol?
The InChIKey is OZCHWYAQSCOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(2)11-16-7-9-17(10-8-16)18(21)13-20-12-15(3)19(4,5)6/h7-10,14-15,18,20-21H,11-13H2,1-6H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol?
1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol has a molecular weight of 291.48 g/mol, XLogP of 4.19, 7 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-(2,3,3-trimethylbutylamino)ethanol is sourced from PubChem (CID 83142065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).