3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride

C18H24ClNO — CID 12549090

IUPAC3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride
SMILESCc1ccccc1C(c1ccccc1)C(O)CN(C)C.Cl
InChIInChI=1S/C18H23NO.ClH/c1-14-9-7-8-12-16(14)18(17(20)13-19(2)3)15-10-5-4-6-11-15;/h4-12,17-18,20H,13H2,1-3H3;1H
InChIKeyJGPOUSCAGZUUNK-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.47
Rot. Bonds5

About 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride

3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride (PubChem CID 12549090) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride
PubChem CID12549090
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride
SMILESCc1ccccc1C(c1ccccc1)C(O)CN(C)C.Cl
InChIInChI=1S/C18H23NO.ClH/c1-14-9-7-8-12-16(14)18(17(20)13-19(2)3)15-10-5-4-6-11-15;/h4-12,17-18,20H,13H2,1-3H3;1H
InChIKeyJGPOUSCAGZUUNK-UHFFFAOYSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride?
The IUPAC name of 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride (CID 12549090) is 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride is Cc1ccccc1C(c1ccccc1)C(O)CN(C)C.Cl.
What is the InChIKey of 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride?
The InChIKey is JGPOUSCAGZUUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-14-9-7-8-12-16(14)18(17(20)13-19(2)3)15-10-5-4-6-11-15;/h4-12,17-18,20H,13H2,1-3H3;1H.
What are the key properties of 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride?
3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 12549090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).