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

C14H24N2O2 — CID 115120814

IUPAC2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
SMILESCOc1cc(C)c(C)cc1CCNCC(N)CO
InChIInChI=1S/C14H24N2O2/c1-10-6-12(14(18-3)7-11(10)2)4-5-16-8-13(15)9-17/h6-7,13,16-17H,4-5,8-9,15H2,1-3H3
InChIKeySQEDLVSITXPYLR-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.76
Rot. Bonds7

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

2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol (PubChem CID 115120814) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
PubChem CID115120814
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
SMILESCOc1cc(C)c(C)cc1CCNCC(N)CO
InChIInChI=1S/C14H24N2O2/c1-10-6-12(14(18-3)7-11(10)2)4-5-16-8-13(15)9-17/h6-7,13,16-17H,4-5,8-9,15H2,1-3H3
InChIKeySQEDLVSITXPYLR-UHFFFAOYSA-N
XLogP0.76
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120540
3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol
CID 115122296
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
2-amino-3-[2-(4-tert-butyl-2-methylphenyl)ethylamino]propan-1-ol
CID 115120856
2-[[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]methyl]butanenitrile
CID 115254023
2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
CID 115223198
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119991
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122094
4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
CID 115218709

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol (CID 115120814) is 2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol is COc1cc(C)c(C)cc1CCNCC(N)CO.
What is the InChIKey of 2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol?
The InChIKey is SQEDLVSITXPYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-6-12(14(18-3)7-11(10)2)4-5-16-8-13(15)9-17/h6-7,13,16-17H,4-5,8-9,15H2,1-3H3.
What are the key properties of 2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol?
2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 115120814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).