3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol

C12H19NO2 — CID 82283950

IUPAC3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
SMILESCOc1c(C)cc(C)cc1C(N)CCO
InChIInChI=1S/C12H19NO2/c1-8-6-9(2)12(15-3)10(7-8)11(13)4-5-14/h6-7,11,14H,4-5,13H2,1-3H3
InChIKeyVVCHMZIAQLRFNJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol

3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol (PubChem CID 82283950) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
PubChem CID82283950
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
SMILESCOc1c(C)cc(C)cc1C(N)CCO
InChIInChI=1S/C12H19NO2/c1-8-6-9(2)12(15-3)10(7-8)11(13)4-5-14/h6-7,11,14H,4-5,13H2,1-3H3
InChIKeyVVCHMZIAQLRFNJ-UHFFFAOYSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
CID 116940201
(1S,3S)-3-amino-1-(2-methoxy-3,5-dimethylphenyl)butane-1,4-diol
CID 165351519
4-chloro-4-(2-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 82366992
2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116945325
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
ethyl 2-chloro-2-(2-methoxy-3,5-dimethylphenyl)acetate
CID 116863130
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948093
3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84774435
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
4-amino-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutanoic acid
CID 116938182

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol (CID 82283950) is 3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol is COc1c(C)cc(C)cc1C(N)CCO.
What is the InChIKey of 3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol?
The InChIKey is VVCHMZIAQLRFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-6-9(2)12(15-3)10(7-8)11(13)4-5-14/h6-7,11,14H,4-5,13H2,1-3H3.
What are the key properties of 3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol?
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 82283950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).