(1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol

C18H24N2O — CID 24897482

IUPAC(1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O/c1-14-9-11-16(12-10-14)20(3)18(17(21)13-19-2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
InChIKeyONSNNWXLUHKPDE-MSOLQXFVSA-N
MW284.40 g/mol
LogP2.75
Rot. Bonds6

About (1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol

(1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 24897482) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID24897482
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O/c1-14-9-11-16(12-10-14)20(3)18(17(21)13-19-2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
InChIKeyONSNNWXLUHKPDE-MSOLQXFVSA-N
XLogP2.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-((4-Aminophenethyl)amino)-1-phenylethanol hydrochloride, (R)-
CID 52953007
Phenethyl alcohol, 4-piperidino-
CID 3043079
2-((4-Aminophenethyl)amino)-1-phenylethanol, (R)-
CID 52953008
(1S)-1-(2-Fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanol
CID 53350238
(R)-2-amino-3-(4-octylphenylamino)propan-1-ol
CID 45255203
2-(2,5-Dimethylanilino)-1-phenylethanol
CID 4401326
1-p-Aminophenyl-2-(4-benzyl-piperidin-1-yl)-propan-1-ol
CID 22449936
2-[2-[4-[(2-Hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol
CID 22986860
(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897269
(R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897270

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol (CID 24897482) is (1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol is CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(C)cc1.
What is the InChIKey of (1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is ONSNNWXLUHKPDE-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-9-11-16(12-10-14)20(3)18(17(21)13-19-2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
(1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(N,4-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 24897482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).