(1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol

C17H22N2O — CID 44574884

IUPAC(1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@@H](c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17-/m1/s1
InChIKeyKWAYIPPRBHZSBU-IAGOWNOFSA-N
MW270.38 g/mol
LogP2.44
Rot. Bonds6

About (1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol

(1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol (PubChem CID 44574884) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol
PubChem CID44574884
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@@H](c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17-/m1/s1
InChIKeyKWAYIPPRBHZSBU-IAGOWNOFSA-N
XLogP2.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4-Aminophenethyl)amino)-1-phenylethanol hydrochloride, (R)-
CID 52953007
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
2-(2,5-Dimethylanilino)-1-phenylethanol
CID 4401326
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
(R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897482
(R,S/S,R)-syn-1-((2-chlorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897483
(R,S/S,R)-syn-1-((3-chlorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897484

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol?
The IUPAC name of (1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol (CID 44574884) is (1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol.
What is the SMILES notation for (1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol?
The canonical SMILES for (1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol is CNC[C@@H](O)[C@@H](c1ccccc1)N(C)c1ccccc1.
What is the InChIKey of (1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol?
The InChIKey is KWAYIPPRBHZSBU-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol?
(1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol has a molecular weight of 270.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol is sourced from PubChem (CID 44574884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).