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

C12H20N2O2 — CID 115120343

IUPAC2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
SMILESCOc1c(C)cc(NCC(N)CO)cc1C
InChIInChI=1S/C12H20N2O2/c1-8-4-11(14-6-10(13)7-15)5-9(2)12(8)16-3/h4-5,10,14-15H,6-7,13H2,1-3H3
InChIKeyMWRLLDGWUPUWKV-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.04
Rot. Bonds5

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

2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol (PubChem CID 115120343) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
PubChem CID115120343
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
SMILESCOc1c(C)cc(NCC(N)CO)cc1C
InChIInChI=1S/C12H20N2O2/c1-8-4-11(14-6-10(13)7-15)5-9(2)12(8)16-3/h4-5,10,14-15H,6-7,13H2,1-3H3
InChIKeyMWRLLDGWUPUWKV-UHFFFAOYSA-N
XLogP1.04
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxy-3,5-dimethylphenyl)methanediamine
CID 115225476
2-amino-3-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120568
methyl 3-hydroxy-4-(4-methoxy-3,5-dimethylanilino)butanoate
CID 115123244
2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol
CID 115120355
2-[(4-methoxy-3,5-dimethylanilino)methyl]-3-methylbutanenitrile
CID 115254301
2-amino-4-(4-methoxy-3,5-dimethylanilino)butanoic acid
CID 115241061
2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
CID 115120337
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120540
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 141408194
2-(3-amino-4-methoxy-5-methylanilino)ethanol
CID 143181854
3-amino-4-(4-methoxy-2,3,5-trimethylanilino)butanoic acid
CID 115241472

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol?
The IUPAC name of 2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol (CID 115120343) is 2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol?
The canonical SMILES for 2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol is COc1c(C)cc(NCC(N)CO)cc1C.
What is the InChIKey of 2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol?
The InChIKey is MWRLLDGWUPUWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-4-11(14-6-10(13)7-15)5-9(2)12(8)16-3/h4-5,10,14-15H,6-7,13H2,1-3H3.
What are the key properties of 2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol?
2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol is sourced from PubChem (CID 115120343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).