2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol

C14H23NO2 — CID 15348373

IUPAC2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
SMILESCN(C)CC(C)(CO)COCc1ccccc1
InChIInChI=1S/C14H23NO2/c1-14(11-16,10-15(2)3)12-17-9-13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3
InChIKeyMAGHVSOQMNGKGL-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.76
Rot. Bonds7

About 2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol

2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol (PubChem CID 15348373) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
PubChem CID15348373
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
SMILESCN(C)CC(C)(CO)COCc1ccccc1
InChIInChI=1S/C14H23NO2/c1-14(11-16,10-15(2)3)12-17-9-13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3
InChIKeyMAGHVSOQMNGKGL-UHFFFAOYSA-N
XLogP1.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
2-methyl-2-(phenylmethoxymethyl)butan-1-amine
CID 102940469
formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol
CID 178018930
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol
CID 102391080
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
CID 165127154
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol (CID 15348373) is 2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol is CN(C)CC(C)(CO)COCc1ccccc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol?
The InChIKey is MAGHVSOQMNGKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(11-16,10-15(2)3)12-17-9-13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol?
2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 15348373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).