(1R)-3-benzylimino-1-phenylbutan-1-ol

C17H19NO — CID 102365805

IUPAC(1R)-3-benzylimino-1-phenylbutan-1-ol
SMILESC/C(C[C@@H](O)c1ccccc1)=N\Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-14(18-13-15-8-4-2-5-9-15)12-17(19)16-10-6-3-7-11-16/h2-11,17,19H,12-13H2,1H3/b18-14+/t17-/m1/s1
InChIKeyALLIHQITTZBDIF-SOGDLCAJSA-N
MW253.35 g/mol
LogP3.77
Rot. Bonds5

About (1R)-3-benzylimino-1-phenylbutan-1-ol

(1R)-3-benzylimino-1-phenylbutan-1-ol (PubChem CID 102365805) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1R)-3-benzylimino-1-phenylbutan-1-ol.

Molecular Properties

Compound Name(1R)-3-benzylimino-1-phenylbutan-1-ol
PubChem CID102365805
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1R)-3-benzylimino-1-phenylbutan-1-ol
SMILESC/C(C[C@@H](O)c1ccccc1)=N\Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-14(18-13-15-8-4-2-5-9-15)12-17(19)16-10-6-3-7-11-16/h2-11,17,19H,12-13H2,1H3/b18-14+/t17-/m1/s1
InChIKeyALLIHQITTZBDIF-SOGDLCAJSA-N
XLogP3.77
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-3-benzylimino-1-phenylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cinnamedrine
CID 5370611
3-[Benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 59570682
(R)-2-Methylimino-1-phenylpropan-1-ol
CID 656502
2-(Dimethylamino)-1,2-diphenylethanol
CID 223870
(1S,2S)-2-(dimethylamino)-1,2-diphenylethanol
CID 71454813
2-(Benzyl(methyl)amino)-1-phenylethanol
CID 10466877
Benzhydrol, alpha-(2-(isopropylideneamino)-1-methylethyl)-
CID 210710
1,1-Diphenyl-2-methyl-3-(1-cyclopropylethylidene)aminopropanol
CID 3060419
2-(Benzyl(2-hydroxyethyl)amino)-1-phenylethanol
CID 3869797
3-[Benzyl(methyl)amino]-1-phenylpropan-1-ol
CID 15678556
(1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol
CID 90680250
3-Amino-1,3-diphenylpropan-1-ol
CID 283198

Frequently Asked Questions

What is the IUPAC name of (1R)-3-benzylimino-1-phenylbutan-1-ol?
The IUPAC name of (1R)-3-benzylimino-1-phenylbutan-1-ol (CID 102365805) is (1R)-3-benzylimino-1-phenylbutan-1-ol.
What is the SMILES notation for (1R)-3-benzylimino-1-phenylbutan-1-ol?
The canonical SMILES for (1R)-3-benzylimino-1-phenylbutan-1-ol is C/C(C[C@@H](O)c1ccccc1)=N\Cc1ccccc1.
What is the InChIKey of (1R)-3-benzylimino-1-phenylbutan-1-ol?
The InChIKey is ALLIHQITTZBDIF-SOGDLCAJSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(18-13-15-8-4-2-5-9-15)12-17(19)16-10-6-3-7-11-16/h2-11,17,19H,12-13H2,1H3/b18-14+/t17-/m1/s1.
What are the key properties of (1R)-3-benzylimino-1-phenylbutan-1-ol?
(1R)-3-benzylimino-1-phenylbutan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-benzylimino-1-phenylbutan-1-ol is sourced from PubChem (CID 102365805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).