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

C14H23NO2 — CID 112513281

IUPAC2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol
SMILESCOc1cc(C)c(CCNC(C)CO)cc1C
InChIInChI=1S/C14H23NO2/c1-10-8-14(17-4)11(2)7-13(10)5-6-15-12(3)9-16/h7-8,12,15-16H,5-6,9H2,1-4H3
InChIKeySBAIIJFJGAOKIE-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.82
Rot. Bonds6

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

2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol (PubChem CID 112513281) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol
PubChem CID112513281
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol
SMILESCOc1cc(C)c(CCNC(C)CO)cc1C
InChIInChI=1S/C14H23NO2/c1-10-8-14(17-4)11(2)7-13(10)5-6-15-12(3)9-16/h7-8,12,15-16H,5-6,9H2,1-4H3
InChIKeySBAIIJFJGAOKIE-UHFFFAOYSA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137696
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167371
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
CID 110788062
3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol
CID 115122296
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
1-hept-3-ynyl-4-methoxy-2,5-dimethylbenzene
CID 83927830
2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
CID 115120814
2-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanenitrile
CID 115130132

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol?
The IUPAC name of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol (CID 112513281) is 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol?
The canonical SMILES for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol is COc1cc(C)c(CCNC(C)CO)cc1C.
What is the InChIKey of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol?
The InChIKey is SBAIIJFJGAOKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-8-14(17-4)11(2)7-13(10)5-6-15-12(3)9-16/h7-8,12,15-16H,5-6,9H2,1-4H3.
What are the key properties of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol?
2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 112513281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).