3-amino-3-methyl-1-phenylmethoxybutan-2-ol

C12H19NO2 — CID 67509552

IUPAC3-amino-3-methyl-1-phenylmethoxybutan-2-ol
SMILESCC(C)(N)C(O)COCc1ccccc1
InChIInChI=1S/C12H19NO2/c1-12(2,13)11(14)9-15-8-10-6-4-3-5-7-10/h3-7,11,14H,8-9,13H2,1-2H3
InChIKeyHZZIMOJSYZEDGL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.30
Rot. Bonds5

About 3-amino-3-methyl-1-phenylmethoxybutan-2-ol

3-amino-3-methyl-1-phenylmethoxybutan-2-ol (PubChem CID 67509552) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-3-methyl-1-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Name3-amino-3-methyl-1-phenylmethoxybutan-2-ol
PubChem CID67509552
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-amino-3-methyl-1-phenylmethoxybutan-2-ol
SMILESCC(C)(N)C(O)COCc1ccccc1
InChIInChI=1S/C12H19NO2/c1-12(2,13)11(14)9-15-8-10-6-4-3-5-7-10/h3-7,11,14H,8-9,13H2,1-2H3
InChIKeyHZZIMOJSYZEDGL-UHFFFAOYSA-N
XLogP1.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
CID 106940105
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R)-3,3-dimethyl-5-phenyl-1-phenylmethoxypent-4-yn-2-ol
CID 134940359
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S,3R)-3-chloro-4,4-dimethyl-1-phenylmethoxypentan-2-ol
CID 134934585
(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol
CID 10467398
2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
CID 142227491
3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide
CID 142666314
(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol
CID 14447497
tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate
CID 71433233
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-phenylmethoxybutan-2-ol?
The IUPAC name of 3-amino-3-methyl-1-phenylmethoxybutan-2-ol (CID 67509552) is 3-amino-3-methyl-1-phenylmethoxybutan-2-ol.
What is the SMILES notation for 3-amino-3-methyl-1-phenylmethoxybutan-2-ol?
The canonical SMILES for 3-amino-3-methyl-1-phenylmethoxybutan-2-ol is CC(C)(N)C(O)COCc1ccccc1.
What is the InChIKey of 3-amino-3-methyl-1-phenylmethoxybutan-2-ol?
The InChIKey is HZZIMOJSYZEDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,13)11(14)9-15-8-10-6-4-3-5-7-10/h3-7,11,14H,8-9,13H2,1-2H3.
What are the key properties of 3-amino-3-methyl-1-phenylmethoxybutan-2-ol?
3-amino-3-methyl-1-phenylmethoxybutan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-phenylmethoxybutan-2-ol is sourced from PubChem (CID 67509552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).