(1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol

C12H18N2O — CID 134905620

IUPAC(1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol
SMILESC[C@H](/C=N/N(C)C)[C@H](O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(9-13-14(2)3)12(15)11-7-5-4-6-8-11/h4-10,12,15H,1-3H3/b13-9+/t10-,12+/m1/s1
InChIKeyMQDCQDCUSDDRRC-GELAHKRVSA-N
MW206.29 g/mol
LogP1.90
Rot. Bonds4

About (1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol

(1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol (PubChem CID 134905620) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol
PubChem CID134905620
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol
SMILESC[C@H](/C=N/N(C)C)[C@H](O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(9-13-14(2)3)12(15)11-7-5-4-6-8-11/h4-10,12,15H,1-3H3/b13-9+/t10-,12+/m1/s1
InChIKeyMQDCQDCUSDDRRC-GELAHKRVSA-N
XLogP1.90
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethylsulfanyl-2-phenylethylidene)amino]-N-methylmethanamine
CID 131888586
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329
(1S)-1-phenylethanol
CID 157125626
benzene;2-phenylethane-1,1,2-triol
CID 174439943
1,2-diphenylethane-1,2-diol
CID 159073808
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
(E)-2-methyl-1-phenyl-4-trimethylgermylbut-3-en-1-ol
CID 10707756
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
azane;(1R)-1-phenylethanol
CID 126646564
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol (CID 134905620) is (1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol is C[C@H](/C=N/N(C)C)[C@H](O)c1ccccc1.
What is the InChIKey of (1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is MQDCQDCUSDDRRC-GELAHKRVSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(9-13-14(2)3)12(15)11-7-5-4-6-8-11/h4-10,12,15H,1-3H3/b13-9+/t10-,12+/m1/s1.
What are the key properties of (1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol?
(1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 134905620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).