1-(butylideneamino)-3-phenylpropan-2-ol

C13H19NO — CID 57106205

IUPAC1-(butylideneamino)-3-phenylpropan-2-ol
SMILESCCC/C=N/CC(O)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-2-3-9-14-11-13(15)10-12-7-5-4-6-8-12/h4-9,13,15H,2-3,10-11H2,1H3/b14-9+
InChIKeyCCCRZUWUIJMBSQ-NTEUORMPSA-N
MW205.30 g/mol
LogP2.46
Rot. Bonds6

About 1-(butylideneamino)-3-phenylpropan-2-ol

1-(butylideneamino)-3-phenylpropan-2-ol (PubChem CID 57106205) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(butylideneamino)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(butylideneamino)-3-phenylpropan-2-ol
PubChem CID57106205
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(butylideneamino)-3-phenylpropan-2-ol
SMILESCCC/C=N/CC(O)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-2-3-9-14-11-13(15)10-12-7-5-4-6-8-12/h4-9,13,15H,2-3,10-11H2,1H3/b14-9+
InChIKeyCCCRZUWUIJMBSQ-NTEUORMPSA-N
XLogP2.46
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Alpha-((diethylamino)methyl)phenethyl alcohol
CID 411826
Benzeneethanol, alpha-((dimethylamino)methyl)-
CID 3054344
(E)-2-(Benzylideneamino)-1-phenylethanol
CID 2841414
(2R)-1-(dimethylamino)-3-phenylpropan-2-ol
CID 165983820
2-(Benzylideneamino)-1-phenyl-1-propanol
CID 3342267
1-Azido-3-phenylpropan-2-ol
CID 13764832
trans-2-(Benzylidenamino)-cyclohexanol
CID 15737537
2-Benzyl-5-methyl-2,5-dihydro-1,3-oxazole
CID 89829886
4-(4-Fluorophenyl)-2,3-dihydropyridin-3-ol
CID 141374848
1-Ethylimino-1-(4-fluorophenyl)propan-2-ol
CID 152817869
1-(Difluoroamino)-3-phenylpropan-2-ol
CID 154374279
5-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 10535249

Frequently Asked Questions

What is the IUPAC name of 1-(butylideneamino)-3-phenylpropan-2-ol?
The IUPAC name of 1-(butylideneamino)-3-phenylpropan-2-ol (CID 57106205) is 1-(butylideneamino)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(butylideneamino)-3-phenylpropan-2-ol?
The canonical SMILES for 1-(butylideneamino)-3-phenylpropan-2-ol is CCC/C=N/CC(O)Cc1ccccc1.
What is the InChIKey of 1-(butylideneamino)-3-phenylpropan-2-ol?
The InChIKey is CCCRZUWUIJMBSQ-NTEUORMPSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-9-14-11-13(15)10-12-7-5-4-6-8-12/h4-9,13,15H,2-3,10-11H2,1H3/b14-9+.
What are the key properties of 1-(butylideneamino)-3-phenylpropan-2-ol?
1-(butylideneamino)-3-phenylpropan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylideneamino)-3-phenylpropan-2-ol is sourced from PubChem (CID 57106205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).