(1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride

C20H28ClNO — CID 45262414

IUPAC(1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
SMILESCc1cc(C)c([C@H](O)[C@@H](CN(C)C)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C20H27NO.ClH/c1-14-11-15(2)19(16(3)12-14)20(22)18(13-21(4)5)17-9-7-6-8-10-17;/h6-12,18,20,22H,13H2,1-5H3;1H/t18-,20+;/m0./s1
InChIKeyPBPZAEYGFWGLBT-VKLKMBQZSA-N
MW333.90 g/mol
LogP4.41
Rot. Bonds5

About (1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride

(1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride (PubChem CID 45262414) has the molecular formula C20H28ClNO and a molecular weight of 333.90 g/mol. Its IUPAC name is (1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
PubChem CID45262414
Molecular FormulaC20H28ClNO
Molecular Weight333.90 g/mol
Exact Mass333.19
IUPAC Name(1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
SMILESCc1cc(C)c([C@H](O)[C@@H](CN(C)C)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C20H27NO.ClH/c1-14-11-15(2)19(16(3)12-14)20(22)18(13-21(4)5)17-9-7-6-8-10-17;/h6-12,18,20,22H,13H2,1-5H3;1H/t18-,20+;/m0./s1
InChIKeyPBPZAEYGFWGLBT-VKLKMBQZSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride (CID 45262414) is (1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride is Cc1cc(C)c([C@H](O)[C@@H](CN(C)C)c2ccccc2)c(C)c1.Cl.
What is the InChIKey of (1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
The InChIKey is PBPZAEYGFWGLBT-VKLKMBQZSA-N. The full InChI is InChI=1S/C20H27NO.ClH/c1-14-11-15(2)19(16(3)12-14)20(22)18(13-21(4)5)17-9-7-6-8-10-17;/h6-12,18,20,22H,13H2,1-5H3;1H/t18-,20+;/m0./s1.
What are the key properties of (1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
(1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 45262414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).