2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol

C17H27NO — CID 106188249

IUPAC2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)=CCNCC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)9-10-18-12-17(19)16-7-5-15(6-8-16)11-14(3)4/h5-9,14,17-19H,10-12H2,1-4H3
InChIKeyFWYLUHPJWFOZSY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.47
Rot. Bonds7

About 2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol

2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 106188249) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID106188249
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)=CCNCC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)9-10-18-12-17(19)16-7-5-15(6-8-16)11-14(3)4/h5-9,14,17-19H,10-12H2,1-4H3
InChIKeyFWYLUHPJWFOZSY-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
3-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]but-2-en-1-amine
CID 106180560
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
CID 83142065
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
4-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 66091850
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
3-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]butan-1-ol
CID 83177309
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol
CID 106160005
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol (CID 106188249) is 2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol is CC(C)=CCNCC(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is FWYLUHPJWFOZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)9-10-18-12-17(19)16-7-5-15(6-8-16)11-14(3)4/h5-9,14,17-19H,10-12H2,1-4H3.
What are the key properties of 2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol?
2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 106188249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).