4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol

C16H27NO3 — CID 66179916

IUPAC4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NCC(C)(O)CC(C)C)ccc1O
InChIInChI=1S/C16H27NO3/c1-11(2)9-16(4,19)10-17-12(3)13-6-7-14(18)15(8-13)20-5/h6-8,11-12,17-19H,9-10H2,1-5H3
InChIKeyYBQIYQMWRGAIGG-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.85
Rot. Bonds7

About 4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol

4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol (PubChem CID 66179916) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol
PubChem CID66179916
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NCC(C)(O)CC(C)C)ccc1O
InChIInChI=1S/C16H27NO3/c1-11(2)9-16(4,19)10-17-12(3)13-6-7-14(18)15(8-13)20-5/h6-8,11-12,17-19H,9-10H2,1-5H3
InChIKeyYBQIYQMWRGAIGG-UHFFFAOYSA-N
XLogP2.85
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol
CID 66179353
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103716987
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol
CID 83070022
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol
CID 115516886
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2,4-dimethylpentan-2-ol
CID 66179772

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol (CID 66179916) is 4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol is COc1cc(C(C)NCC(C)(O)CC(C)C)ccc1O.
What is the InChIKey of 4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol?
The InChIKey is YBQIYQMWRGAIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11(2)9-16(4,19)10-17-12(3)13-6-7-14(18)15(8-13)20-5/h6-8,11-12,17-19H,9-10H2,1-5H3.
What are the key properties of 4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol?
4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol has a molecular weight of 281.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 66179916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).