2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol

C12H19NO2 — CID 43776404

IUPAC2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
SMILESCOc1ccc(CNC(C)CO)cc1C
InChIInChI=1S/C12H19NO2/c1-9-6-11(4-5-12(9)15-3)7-13-10(2)8-14/h4-6,10,13-14H,7-8H2,1-3H3
InChIKeyHIHHVUZEXSXNQO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds5

About 2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol

2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol (PubChem CID 43776404) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
PubChem CID43776404
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
SMILESCOc1ccc(CNC(C)CO)cc1C
InChIInChI=1S/C12H19NO2/c1-9-6-11(4-5-12(9)15-3)7-13-10(2)8-14/h4-6,10,13-14H,7-8H2,1-3H3
InChIKeyHIHHVUZEXSXNQO-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562
2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945293
3-[(4-methoxy-3-methylphenyl)methylamino]-2-methylsulfanylbutan-1-ol
CID 113240077
2-[(4-methoxy-3-nitrophenyl)methylamino]propan-1-ol
CID 43499927
N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine
CID 115691288
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
CID 43789807
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
(2R)-2-[[4-(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
CID 111466419
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111455101
N-ethyl-2-[(4-methoxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103107281

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol (CID 43776404) is 2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol is COc1ccc(CNC(C)CO)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol?
The InChIKey is HIHHVUZEXSXNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-6-11(4-5-12(9)15-3)7-13-10(2)8-14/h4-6,10,13-14H,7-8H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol?
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 43776404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).