(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol

C11H18N2O — CID 58420104

IUPAC(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
SMILESCN(C)C[C@@H](N)[C@H](O)c1ccccc1
InChIInChI=1S/C11H18N2O/c1-13(2)8-10(12)11(14)9-6-4-3-5-7-9/h3-7,10-11,14H,8,12H2,1-2H3/t10-,11-/m1/s1
InChIKeyXKKIFURXQKIPDQ-GHMZBOCLSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds4

About (1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol

(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol (PubChem CID 58420104) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
PubChem CID58420104
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
SMILESCN(C)C[C@@H](N)[C@H](O)c1ccccc1
InChIInChI=1S/C11H18N2O/c1-13(2)8-10(12)11(14)9-6-4-3-5-7-9/h3-7,10-11,14H,8,12H2,1-2H3/t10-,11-/m1/s1
InChIKeyXKKIFURXQKIPDQ-GHMZBOCLSA-N
XLogP0.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol
CID 39869601
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
(1R,2S)-2-[[(2R)-2-amino-3-methylbutyl]-methylamino]-1-phenylpropan-1-ol
CID 86342127
2,4-diamino-1-phenylbutan-1-ol
CID 83936523
3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol
CID 21410
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
2-amino-1,4-diphenylbutan-1-ol
CID 10847700
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 22385898
1,2-diphenylethane-1,2-diol
CID 159073808
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol (CID 58420104) is (1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol is CN(C)C[C@@H](N)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol?
The InChIKey is XKKIFURXQKIPDQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(2)8-10(12)11(14)9-6-4-3-5-7-9/h3-7,10-11,14H,8,12H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol?
(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 58420104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).