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

C17H29NO3 — CID 66179353

IUPAC1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol
SMILESCOc1ccc(C(C)NCC(C)(O)CC(C)C)cc1OC
InChIInChI=1S/C17H29NO3/c1-12(2)10-17(4,19)11-18-13(3)14-7-8-15(20-5)16(9-14)21-6/h7-9,12-13,18-19H,10-11H2,1-6H3
InChIKeyHDEIWTRLEBJNIL-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.15
Rot. Bonds8

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

1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol (PubChem CID 66179353) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol
PubChem CID66179353
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol
SMILESCOc1ccc(C(C)NCC(C)(O)CC(C)C)cc1OC
InChIInChI=1S/C17H29NO3/c1-12(2)10-17(4,19)11-18-13(3)14-7-8-15(20-5)16(9-14)21-6/h7-9,12-13,18-19H,10-11H2,1-6H3
InChIKeyHDEIWTRLEBJNIL-UHFFFAOYSA-N
XLogP3.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol
CID 66179916
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103716987
methyl 3-[1-(3,4-dimethoxyphenyl)ethylamino]-2,2-dimethylpropanoate
CID 79621340
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol
CID 83070022
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 61172776
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
1-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60882670
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 62331698
(2S)-3-[1-(3,4-dimethoxyphenyl)ethylamino]propane-1,2-diol
CID 61172770

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol (CID 66179353) is 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol is COc1ccc(C(C)NCC(C)(O)CC(C)C)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is HDEIWTRLEBJNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-12(2)10-17(4,19)11-18-13(3)14-7-8-15(20-5)16(9-14)21-6/h7-9,12-13,18-19H,10-11H2,1-6H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol?
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66179353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).