(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride

C11H18ClNO — CID 163285620

IUPAC(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
SMILESC[C@H](C(O)c1ccccc1)N(C)C.Cl
InChIInChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H/t9-,11?;/m1./s1
InChIKeyNTCYWJCEOILKNG-INDIWFAOSA-N
MW215.72 g/mol
LogP2.09
Rot. Bonds3

About (2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride

(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride (PubChem CID 163285620) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
PubChem CID163285620
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
SMILESC[C@H](C(O)c1ccccc1)N(C)C.Cl
InChIInChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H/t9-,11?;/m1./s1
InChIKeyNTCYWJCEOILKNG-INDIWFAOSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
(1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol
CID 10902251
1,2-diphenylethane-1,2-diol
CID 159073808
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride
CID 169438778
1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
CID 85280198
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-2-phenylacetonitrile
CID 10333884

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride (CID 163285620) is (2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride is C[C@H](C(O)c1ccccc1)N(C)C.Cl.
What is the InChIKey of (2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is NTCYWJCEOILKNG-INDIWFAOSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H/t9-,11?;/m1./s1.
What are the key properties of (2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride?
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 163285620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).