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

C14H23NO2 — CID 115122127

IUPAC3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
SMILESCc1ccc(C(C)C)cc1CNCC(O)CO
InChIInChI=1S/C14H23NO2/c1-10(2)12-5-4-11(3)13(6-12)7-15-8-14(17)9-16/h4-6,10,14-17H,7-9H2,1-3H3
InChIKeyIUCSJJHYXOFWDE-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.56
Rot. Bonds6

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

3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol (PubChem CID 115122127) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
PubChem CID115122127
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
SMILESCc1ccc(C(C)C)cc1CNCC(O)CO
InChIInChI=1S/C14H23NO2/c1-10(2)12-5-4-11(3)13(6-12)7-15-8-14(17)9-16/h4-6,10,14-17H,7-9H2,1-3H3
InChIKeyIUCSJJHYXOFWDE-UHFFFAOYSA-N
XLogP1.56
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206474
N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115197860
3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122097
1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]pentane-1,4-diamine
CID 115203847
3-[(6-methyl-1,3-benzodioxol-5-yl)methylamino]propane-1,2-diol
CID 115122152
4-[(2-methyl-5-propan-2-ylphenyl)methylamino]butanenitrile
CID 115231720
3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122094
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175661
3-[(2,5-dimethylthiophen-3-yl)methylamino]propane-1,2-diol
CID 66177586
1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol
CID 115630684
3-[2-(5-bromo-2-methylphenyl)ethylamino]propane-1,2-diol
CID 115122353

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol (CID 115122127) is 3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol is Cc1ccc(C(C)C)cc1CNCC(O)CO.
What is the InChIKey of 3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol?
The InChIKey is IUCSJJHYXOFWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)12-5-4-11(3)13(6-12)7-15-8-14(17)9-16/h4-6,10,14-17H,7-9H2,1-3H3.
What are the key properties of 3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol?
3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol has a molecular weight of 237.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 115122127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).