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

C19H28ClNO — CID 45262357

IUPAC(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
SMILESCN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)C(C)(C)C.Cl
InChIInChI=1S/C19H27NO.ClH/c1-19(2,3)18(21)17(13-20(4)5)16-11-10-14-8-6-7-9-15(14)12-16;/h6-12,17-18,21H,13H2,1-5H3;1H/t17-,18+;/m0./s1
InChIKeySFESMQNHNIKYIQ-CJRXIRLBSA-N
MW321.89 g/mol
LogP4.31
Rot. Bonds4

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

(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride (PubChem CID 45262357) has the molecular formula C19H28ClNO and a molecular weight of 321.89 g/mol. Its IUPAC name is (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
PubChem CID45262357
Molecular FormulaC19H28ClNO
Molecular Weight321.89 g/mol
Exact Mass321.19
IUPAC Name(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
SMILESCN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)C(C)(C)C.Cl
InChIInChI=1S/C19H27NO.ClH/c1-19(2,3)18(21)17(13-20(4)5)16-11-10-14-8-6-7-9-15(14)12-16;/h6-12,17-18,21H,13H2,1-5H3;1H/t17-,18+;/m0./s1
InChIKeySFESMQNHNIKYIQ-CJRXIRLBSA-N
XLogP4.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.89
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride?
The IUPAC name of (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride (CID 45262357) is (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride?
The canonical SMILES for (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride is CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)C(C)(C)C.Cl.
What is the InChIKey of (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride?
The InChIKey is SFESMQNHNIKYIQ-CJRXIRLBSA-N. The full InChI is InChI=1S/C19H27NO.ClH/c1-19(2,3)18(21)17(13-20(4)5)16-11-10-14-8-6-7-9-15(14)12-16;/h6-12,17-18,21H,13H2,1-5H3;1H/t17-,18+;/m0./s1.
What are the key properties of (2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride?
(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride has a molecular weight of 321.89 g/mol, XLogP of 4.31, 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-naphthalen-2-ylpentan-3-ol;hydrochloride is sourced from PubChem (CID 45262357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).