(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride

C20H22ClNO — CID 68765069

IUPAC(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1ccccc1.Cl
InChIInChI=1S/C20H21NO.ClH/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18;/h2-13,19-22H,14H2,1H3;1H/t19-,20-;/m1./s1
InChIKeyVKGOWJUMLCDORI-GZJHNZOKSA-N
MW327.86 g/mol
LogP4.30
Rot. Bonds5

About (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride

(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride (PubChem CID 68765069) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
PubChem CID68765069
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1ccccc1.Cl
InChIInChI=1S/C20H21NO.ClH/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18;/h2-13,19-22H,14H2,1H3;1H/t19-,20-;/m1./s1
InChIKeyVKGOWJUMLCDORI-GZJHNZOKSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204623
3-(methylamino)-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol
CID 118675562
(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68762237
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 20631914
(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68760026
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 22385898
(1S,2S)-2-(4-bromophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118675731
2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide
CID 118675704
1-(methylamino)-2-naphthalen-2-ylheptan-3-ol
CID 70875702
(2S,3R)-N-methyl-3-[4-[(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]butoxy]-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68761263
(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 86288293

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride (CID 68765069) is (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride is CNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1ccccc1.Cl.
What is the InChIKey of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is VKGOWJUMLCDORI-GZJHNZOKSA-N. The full InChI is InChI=1S/C20H21NO.ClH/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18;/h2-13,19-22H,14H2,1H3;1H/t19-,20-;/m1./s1.
What are the key properties of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride?
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 68765069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).