4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol

C16H27NO3 — CID 103787619

IUPAC4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol
SMILESCOc1ccc(C(C)NCC(C)(C)CCO)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-12(17-11-16(2,3)8-9-18)14-7-6-13(19-4)10-15(14)20-5/h6-7,10,12,17-18H,8-9,11H2,1-5H3
InChIKeySDVRBLZKOPIIES-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds8

About 4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol

4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol (PubChem CID 103787619) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol
PubChem CID103787619
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol
SMILESCOc1ccc(C(C)NCC(C)(C)CCO)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-12(17-11-16(2,3)8-9-18)14-7-6-13(19-4)10-15(14)20-5/h6-7,10,12,17-18H,8-9,11H2,1-5H3
InChIKeySDVRBLZKOPIIES-UHFFFAOYSA-N
XLogP2.76
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81412732
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
CID 115722852
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 82000365
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
CID 103772268
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol (CID 103787619) is 4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol is COc1ccc(C(C)NCC(C)(C)CCO)c(OC)c1.
What is the InChIKey of 4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol?
The InChIKey is SDVRBLZKOPIIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(17-11-16(2,3)8-9-18)14-7-6-13(19-4)10-15(14)20-5/h6-7,10,12,17-18H,8-9,11H2,1-5H3.
What are the key properties of 4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol?
4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103787619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).