3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol

C12H19NO2 — CID 82283929

IUPAC3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
SMILESCOc1cc(C)c(C)cc1C(CN)CO
InChIInChI=1S/C12H19NO2/c1-8-4-11(10(6-13)7-14)12(15-3)5-9(8)2/h4-5,10,14H,6-7,13H2,1-3H3
InChIKeyPWDIVXABXNTZFP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.35
Rot. Bonds4

About 3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol

3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol (PubChem CID 82283929) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
PubChem CID82283929
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
SMILESCOc1cc(C)c(C)cc1C(CN)CO
InChIInChI=1S/C12H19NO2/c1-8-4-11(10(6-13)7-14)12(15-3)5-9(8)2/h4-5,10,14H,6-7,13H2,1-3H3
InChIKeyPWDIVXABXNTZFP-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
3-amino-2-(2,5-dimethoxy-4-methylsulfanylphenyl)propan-1-ol
CID 116835417
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83974871
3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974869
2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
CID 83937477
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
CID 83927780
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol (CID 82283929) is 3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol is COc1cc(C)c(C)cc1C(CN)CO.
What is the InChIKey of 3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol?
The InChIKey is PWDIVXABXNTZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-4-11(10(6-13)7-14)12(15-3)5-9(8)2/h4-5,10,14H,6-7,13H2,1-3H3.
What are the key properties of 3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol?
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 82283929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).