(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride

C15H26ClNO — CID 45262340

IUPAC(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride
SMILESCN(C)C[C@@H](c1ccccc1)[C@@H](O)C(C)(C)C.Cl
InChIInChI=1S/C15H25NO.ClH/c1-15(2,3)14(17)13(11-16(4)5)12-9-7-6-8-10-12;/h6-10,13-14,17H,11H2,1-5H3;1H/t13-,14+;/m0./s1
InChIKeyUEKLEFLNJKLESJ-LMRHVHIWSA-N
MW271.83 g/mol
LogP3.16
Rot. Bonds4

About (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride

(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride (PubChem CID 45262340) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride
PubChem CID45262340
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride
SMILESCN(C)C[C@@H](c1ccccc1)[C@@H](O)C(C)(C)C.Cl
InChIInChI=1S/C15H25NO.ClH/c1-15(2,3)14(17)13(11-16(4)5)12-9-7-6-8-10-12;/h6-10,13-14,17H,11H2,1-5H3;1H/t13-,14+;/m0./s1
InChIKeyUEKLEFLNJKLESJ-LMRHVHIWSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(Dimethylamino)-1-phenylpropan-1-ol
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CID 10619
Alphamethadol hydrochloride, (-)-
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Levomethadyl
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1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
Alphamethadol hydrochloride, (+)-
CID 206311
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
CID 139594270
2-Methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride?
The IUPAC name of (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride (CID 45262340) is (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride?
The canonical SMILES for (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride is CN(C)C[C@@H](c1ccccc1)[C@@H](O)C(C)(C)C.Cl.
What is the InChIKey of (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride?
The InChIKey is UEKLEFLNJKLESJ-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-15(2,3)14(17)13(11-16(4)5)12-9-7-6-8-10-12;/h6-10,13-14,17H,11H2,1-5H3;1H/t13-,14+;/m0./s1.
What are the key properties of (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride?
(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride is sourced from PubChem (CID 45262340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).