3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol

C18H23NO2 — CID 12549113

IUPAC3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol
SMILESCOC(c1ccccc1)(c1ccccc1)C(O)CN(C)C
InChIInChI=1S/C18H23NO2/c1-19(2)14-17(20)18(21-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,20H,14H2,1-3H3
InChIKeyWXMOLELGNYMJSR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.50
Rot. Bonds6

About 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol

3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol (PubChem CID 12549113) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol
PubChem CID12549113
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol
SMILESCOC(c1ccccc1)(c1ccccc1)C(O)CN(C)C
InChIInChI=1S/C18H23NO2/c1-19(2)14-17(20)18(21-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,20H,14H2,1-3H3
InChIKeyWXMOLELGNYMJSR-UHFFFAOYSA-N
XLogP2.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid
CID 173385557
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
CID 24834806
1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 71192200
(1S)-1-methoxy-1-phenylethanol
CID 141414609
3-methoxy-2-methoxycarbonyl-3,3-diphenylpropanoic acid
CID 163212872
(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
CID 58420104
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
CID 122444887
3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol
CID 21410
(1-methoxy-2-methyl-1-phenyldecyl)benzene
CID 158531120
(1-methoxy-1,1-diphenylpropan-2-yl) 3-oxobutanoate
CID 174762715

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol?
The IUPAC name of 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol (CID 12549113) is 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol?
The canonical SMILES for 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol is COC(c1ccccc1)(c1ccccc1)C(O)CN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol?
The InChIKey is WXMOLELGNYMJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(2)14-17(20)18(21-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,20H,14H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol?
3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol is sourced from PubChem (CID 12549113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).