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

C15H26N2O2 — CID 115120992

IUPAC2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol
SMILESCOc1c(C)cc(CCN(C)CC(N)CO)cc1C
InChIInChI=1S/C15H26N2O2/c1-11-7-13(8-12(2)15(11)19-4)5-6-17(3)9-14(16)10-18/h7-8,14,18H,5-6,9-10,16H2,1-4H3
InChIKeyXQRYQOGUAXABQQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.11
Rot. Bonds7

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

2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol (PubChem CID 115120992) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol
PubChem CID115120992
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol
SMILESCOc1c(C)cc(CCN(C)CC(N)CO)cc1C
InChIInChI=1S/C15H26N2O2/c1-11-7-13(8-12(2)15(11)19-4)5-6-17(3)9-14(16)10-18/h7-8,14,18H,5-6,9-10,16H2,1-4H3
InChIKeyXQRYQOGUAXABQQ-UHFFFAOYSA-N
XLogP1.11
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 115120911
4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]butanenitrile
CID 115232083
(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 141408194
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide
CID 115192259
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
CID 115120934
2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
CID 115120343
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
CID 115169536
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
CID 115120748
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
3-amino-4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115241881

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol (CID 115120992) is 2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol is COc1c(C)cc(CCN(C)CC(N)CO)cc1C.
What is the InChIKey of 2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol?
The InChIKey is XQRYQOGUAXABQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11-7-13(8-12(2)15(11)19-4)5-6-17(3)9-14(16)10-18/h7-8,14,18H,5-6,9-10,16H2,1-4H3.
What are the key properties of 2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol?
2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol is sourced from PubChem (CID 115120992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).