3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol

C15H25NO3 — CID 115122097

IUPAC3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
SMILESCOc1cc(C)c(CNCC(O)CO)cc1C(C)C
InChIInChI=1S/C15H25NO3/c1-10(2)14-6-12(7-16-8-13(18)9-17)11(3)5-15(14)19-4/h5-6,10,13,16-18H,7-9H2,1-4H3
InChIKeyJHLPIHYSAAMYDU-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.57
Rot. Bonds7

About 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol

3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol (PubChem CID 115122097) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
PubChem CID115122097
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
SMILESCOc1cc(C)c(CNCC(O)CO)cc1C(C)C
InChIInChI=1S/C15H25NO3/c1-10(2)14-6-12(7-16-8-13(18)9-17)11(3)5-15(14)19-4/h5-6,10,13,16-18H,7-9H2,1-4H3
InChIKeyJHLPIHYSAAMYDU-UHFFFAOYSA-N
XLogP1.57
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122094
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol
CID 115122296
3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122127
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propane-1,2-diol
CID 113438661
N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine
CID 82552738
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 110781255
3-[(6-methyl-1,3-benzodioxol-5-yl)methylamino]propane-1,2-diol
CID 115122152
3-[(4-methoxy-3,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122151

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol (CID 115122097) is 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol is COc1cc(C)c(CNCC(O)CO)cc1C(C)C.
What is the InChIKey of 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol?
The InChIKey is JHLPIHYSAAMYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)14-6-12(7-16-8-13(18)9-17)11(3)5-15(14)19-4/h5-6,10,13,16-18H,7-9H2,1-4H3.
What are the key properties of 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol?
3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol has a molecular weight of 267.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 115122097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).