[3-(3-methylbut-2-enylamino)phenyl]methanol

C12H17NO — CID 131065051

IUPAC[3-(3-methylbut-2-enylamino)phenyl]methanol
SMILESCC(C)=CCNc1cccc(CO)c1
InChIInChI=1S/C12H17NO/c1-10(2)6-7-13-12-5-3-4-11(8-12)9-14/h3-6,8,13-14H,7,9H2,1-2H3
InChIKeyRMGNDMYAMCKKAA-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.56
Rot. Bonds4

About [3-(3-methylbut-2-enylamino)phenyl]methanol

[3-(3-methylbut-2-enylamino)phenyl]methanol (PubChem CID 131065051) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [3-(3-methylbut-2-enylamino)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-methylbut-2-enylamino)phenyl]methanol
PubChem CID131065051
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[3-(3-methylbut-2-enylamino)phenyl]methanol
SMILESCC(C)=CCNc1cccc(CO)c1
InChIInChI=1S/C12H17NO/c1-10(2)6-7-13-12-5-3-4-11(8-12)9-14/h3-6,8,13-14H,7,9H2,1-2H3
InChIKeyRMGNDMYAMCKKAA-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbut-2-enylamino)phenol
CID 130657504
3-(3-methylbut-2-enylamino)benzoic acid
CID 25107134
[3-(2,2-dimethylpropylamino)phenyl]methanol
CID 20785829
[3-(2-ethylbutylamino)phenyl]methanol
CID 43715042
[3-(2,2-difluoroethylamino)phenyl]methanol
CID 130693904
[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol
CID 130874904
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
CID 107875961
2-fluoro-4-(3-methylbut-2-enylamino)benzoic acid
CID 106197924
3-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61319500
4-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 43715040
2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 82110089

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbut-2-enylamino)phenyl]methanol?
The IUPAC name of [3-(3-methylbut-2-enylamino)phenyl]methanol (CID 131065051) is [3-(3-methylbut-2-enylamino)phenyl]methanol.
What is the SMILES notation for [3-(3-methylbut-2-enylamino)phenyl]methanol?
The canonical SMILES for [3-(3-methylbut-2-enylamino)phenyl]methanol is CC(C)=CCNc1cccc(CO)c1.
What is the InChIKey of [3-(3-methylbut-2-enylamino)phenyl]methanol?
The InChIKey is RMGNDMYAMCKKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)6-7-13-12-5-3-4-11(8-12)9-14/h3-6,8,13-14H,7,9H2,1-2H3.
What are the key properties of [3-(3-methylbut-2-enylamino)phenyl]methanol?
[3-(3-methylbut-2-enylamino)phenyl]methanol has a molecular weight of 191.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbut-2-enylamino)phenyl]methanol is sourced from PubChem (CID 131065051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).