(2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride

C15H26ClNOS — CID 162309732

IUPAC(2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride
SMILESCC[C@](O)(c1cccc(SC)c1)[C@H](C)CN(C)C.Cl
InChIInChI=1S/C15H25NOS.ClH/c1-6-15(17,12(2)11-16(3)4)13-8-7-9-14(10-13)18-5;/h7-10,12,17H,6,11H2,1-5H3;1H/t12-,15-;/m1./s1
InChIKeyBCYGWHPVBKEJBR-XRZFDKQNSA-N
MW303.90 g/mol
LogP3.63
Rot. Bonds6

About (2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride

(2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride (PubChem CID 162309732) has the molecular formula C15H26ClNOS and a molecular weight of 303.90 g/mol. Its IUPAC name is (2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride
PubChem CID162309732
Molecular FormulaC15H26ClNOS
Molecular Weight303.90 g/mol
Exact Mass303.14
IUPAC Name(2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride
SMILESCC[C@](O)(c1cccc(SC)c1)[C@H](C)CN(C)C.Cl
InChIInChI=1S/C15H25NOS.ClH/c1-6-15(17,12(2)11-16(3)4)13-8-7-9-14(10-13)18-5;/h7-10,12,17H,6,11H2,1-5H3;1H/t12-,15-;/m1./s1
InChIKeyBCYGWHPVBKEJBR-XRZFDKQNSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.90
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol
CID 59958915
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
1-(dimethylamino)-2-methyl-3-(3-prop-2-enylphenyl)pentan-3-ol
CID 142838917
4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol
CID 90893051
2,3-dihydroxybutanedioic acid;(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
CID 86624368
2-acetyloxybenzoic acid;(2R,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
CID 160584558
[3-[(2R,3S)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
CID 68830502
(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol
CID 97294313
bis([3-[(2R,3R)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] 2-(3-fluoro-4-phenylphenyl)propanoate);hydrochloride
CID 160727229
bis(4-methylphenyl) (2S,3S)-2,3-dihydroxybutanedioate;(2R,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
CID 11988786
3-[(2R,3R)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol;methane;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 161129604
3-[(2R,3R)-4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol;hydrochloride
CID 70159443

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride?
The IUPAC name of (2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride (CID 162309732) is (2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride?
The canonical SMILES for (2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride is CC[C@](O)(c1cccc(SC)c1)[C@H](C)CN(C)C.Cl.
What is the InChIKey of (2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride?
The InChIKey is BCYGWHPVBKEJBR-XRZFDKQNSA-N. The full InChI is InChI=1S/C15H25NOS.ClH/c1-6-15(17,12(2)11-16(3)4)13-8-7-9-14(10-13)18-5;/h7-10,12,17H,6,11H2,1-5H3;1H/t12-,15-;/m1./s1.
What are the key properties of (2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride?
(2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride has a molecular weight of 303.90 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride is sourced from PubChem (CID 162309732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).