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

C12H19NO2 — CID 102548255

IUPAC1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol
SMILESCc1ccc(COCC(O)CN)cc1C
InChIInChI=1S/C12H19NO2/c1-9-3-4-11(5-10(9)2)7-15-8-12(14)6-13/h3-5,12,14H,6-8,13H2,1-2H3
InChIKeyUNVOSZSAXUJNSD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.14
Rot. Bonds5

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

1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol (PubChem CID 102548255) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol
PubChem CID102548255
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol
SMILESCc1ccc(COCC(O)CN)cc1C
InChIInChI=1S/C12H19NO2/c1-9-3-4-11(5-10(9)2)7-15-8-12(14)6-13/h3-5,12,14H,6-8,13H2,1-2H3
InChIKeyUNVOSZSAXUJNSD-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(3,4-dimethylphenyl)methoxy]propan-2-amine
CID 97057920
(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine
CID 97057923
4-[[3-[(3-amino-2-hydroxypropoxy)methyl]phenyl]methyl]benzenesulfonic acid
CID 146476186
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
(2S)-1-amino-3-[(2,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 97180192
1-amino-3-[(2,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 102548264
(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 97180181
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide
CID 116845305
1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol
CID 15323033
2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846700

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol?
The IUPAC name of 1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol (CID 102548255) is 1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol is Cc1ccc(COCC(O)CN)cc1C.
What is the InChIKey of 1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol?
The InChIKey is UNVOSZSAXUJNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-3-4-11(5-10(9)2)7-15-8-12(14)6-13/h3-5,12,14H,6-8,13H2,1-2H3.
What are the key properties of 1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol?
1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 102548255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).