3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride

C17H22ClNO — CID 12549057

IUPAC3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride
SMILESCNCC(O)C(c1ccccc1)c1ccc(C)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-13-8-10-15(11-9-13)17(16(19)12-18-2)14-6-4-3-5-7-14;/h3-11,16-19H,12H2,1-2H3;1H
InChIKeyNFEWRSLGTIGNEV-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.13
Rot. Bonds5

About 3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride

3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride (PubChem CID 12549057) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride
PubChem CID12549057
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride
SMILESCNCC(O)C(c1ccccc1)c1ccc(C)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-13-8-10-15(11-9-13)17(16(19)12-18-2)14-6-4-3-5-7-14;/h3-11,16-19H,12H2,1-2H3;1H
InChIKeyNFEWRSLGTIGNEV-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
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2-[2-(4-Methylphenyl)ethylamino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride?
The IUPAC name of 3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride (CID 12549057) is 3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for 3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for 3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride is CNCC(O)C(c1ccccc1)c1ccc(C)cc1.Cl.
What is the InChIKey of 3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride?
The InChIKey is NFEWRSLGTIGNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-13-8-10-15(11-9-13)17(16(19)12-18-2)14-6-4-3-5-7-14;/h3-11,16-19H,12H2,1-2H3;1H.
What are the key properties of 3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride?
3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 12549057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).