3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol

C13H21NO3 — CID 79135373

IUPAC3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
SMILESCOc1cccc(C(O)C(C)(C)CN)c1OC
InChIInChI=1S/C13H21NO3/c1-13(2,8-14)12(15)9-6-5-7-10(16-3)11(9)17-4/h5-7,12,15H,8,14H2,1-4H3
InChIKeyNBWQHKWONXAYAE-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.72
Rot. Bonds5

About 3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol

3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol (PubChem CID 79135373) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
PubChem CID79135373
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
SMILESCOc1cccc(C(O)C(C)(C)CN)c1OC
InChIInChI=1S/C13H21NO3/c1-13(2,8-14)12(15)9-6-5-7-10(16-3)11(9)17-4/h5-7,12,15H,8,14H2,1-4H3
InChIKeyNBWQHKWONXAYAE-UHFFFAOYSA-N
XLogP1.72
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol
CID 13460352
3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
CID 12814074
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
(1S)-1-(2,3-dimethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66510258
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
CID 79135152
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031814
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol (CID 79135373) is 3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol is COc1cccc(C(O)C(C)(C)CN)c1OC.
What is the InChIKey of 3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is NBWQHKWONXAYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,8-14)12(15)9-6-5-7-10(16-3)11(9)17-4/h5-7,12,15H,8,14H2,1-4H3.
What are the key properties of 3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol?
3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79135373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).