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

C16H27NO2 — CID 115137696

IUPAC2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCOc1cc(C)c(CCNC(CO)C(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-11(2)15(10-18)17-7-6-14-8-13(4)16(19-5)9-12(14)3/h8-9,11,15,17-18H,6-7,10H2,1-5H3
InChIKeyIEGIWBDNRDVGDT-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.46
Rot. Bonds7

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

2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 115137696) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID115137696
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCOc1cc(C)c(CCNC(CO)C(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-11(2)15(10-18)17-7-6-14-8-13(4)16(19-5)9-12(14)3/h8-9,11,15,17-18H,6-7,10H2,1-5H3
InChIKeyIEGIWBDNRDVGDT-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 112513281
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137703
2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137699
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
(2S)-2-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 79249013
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167371
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254885
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol (CID 115137696) is 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol is COc1cc(C)c(CCNC(CO)C(C)C)cc1C.
What is the InChIKey of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is IEGIWBDNRDVGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)15(10-18)17-7-6-14-8-13(4)16(19-5)9-12(14)3/h8-9,11,15,17-18H,6-7,10H2,1-5H3.
What are the key properties of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.46, 7 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]-3-methylbutan-1-ol is sourced from PubChem (CID 115137696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).