1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid

C20H27NO4 — CID 173385557

IUPAC1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid
SMILESCC(O)CN(C)C.COC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O3.C5H13NO/c1-18-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-5(7)4-6(2)3/h2-11H,1H3,(H,16,17);5,7H,4H2,1-3H3
InChIKeyXBWAEORNTJPKSB-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.59
Rot. Bonds6

About 1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid

1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid (PubChem CID 173385557) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid.

Molecular Properties

Compound Name1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid
PubChem CID173385557
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid
SMILESCC(O)CN(C)C.COC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O3.C5H13NO/c1-18-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-5(7)4-6(2)3/h2-11H,1H3,(H,16,17);5,7H,4H2,1-3H3
InChIKeyXBWAEORNTJPKSB-UHFFFAOYSA-N
XLogP2.59
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2,2-diphenylacetic acid;pentan-3-amine
CID 173385536
2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;(2R)-1-(dimethylamino)propan-2-ol
CID 68509755
3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-ol
CID 12549113
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 114992186
2-hydroperoxy-2,2-diphenylacetic acid
CID 5314128
3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 112754616
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride
CID 15329
2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid
CID 19604725
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
CID 24834806
[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;formaldehyde
CID 175270994

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid?
The IUPAC name of 1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid (CID 173385557) is 1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid.
What is the SMILES notation for 1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid?
The canonical SMILES for 1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid is CC(O)CN(C)C.COC(C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid?
The InChIKey is XBWAEORNTJPKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.C5H13NO/c1-18-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-5(7)4-6(2)3/h2-11H,1H3,(H,16,17);5,7H,4H2,1-3H3.
What are the key properties of 1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid?
1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid has a molecular weight of 345.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid is sourced from PubChem (CID 173385557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).