3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride

C18H24ClNO2 — CID 12549092

IUPAC3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
SMILESCOc1ccc(C(c2ccccc2)C(O)CN(C)C)cc1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-19(2)13-17(20)18(14-7-5-4-6-8-14)15-9-11-16(21-3)12-10-15;/h4-12,17-18,20H,13H2,1-3H3;1H
InChIKeyINSAPKHOXJVQRP-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.17
Rot. Bonds6

About 3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride

3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride (PubChem CID 12549092) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
PubChem CID12549092
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
SMILESCOc1ccc(C(c2ccccc2)C(O)CN(C)C)cc1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-19(2)13-17(20)18(14-7-5-4-6-8-14)15-9-11-16(21-3)12-10-15;/h4-12,17-18,20H,13H2,1-3H3;1H
InChIKeyINSAPKHOXJVQRP-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
CID 20542460
1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
CID 12549085
(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol
CID 125467735
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol
CID 88896998
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
anisole;(3R,4R)-3-[(dimethylamino)methyl]heptan-4-ol;ethane
CID 142251060
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene
CID 101271686
3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol
CID 24900022

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride?
The IUPAC name of 3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride (CID 12549092) is 3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride is COc1ccc(C(c2ccccc2)C(O)CN(C)C)cc1.Cl.
What is the InChIKey of 3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride?
The InChIKey is INSAPKHOXJVQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c1-19(2)13-17(20)18(14-7-5-4-6-8-14)15-9-11-16(21-3)12-10-15;/h4-12,17-18,20H,13H2,1-3H3;1H.
What are the key properties of 3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride?
3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 12549092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).