4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol

C15H25NO2 — CID 65039215

IUPAC4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
SMILESCCC(CC)(CC)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-5-15(6-2,7-3)16-11-12-8-9-13(17)14(10-12)18-4/h8-10,16-17H,5-7,11H2,1-4H3
InChIKeyAMOIRZQSPKUOKI-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.46
Rot. Bonds7

About 4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol

4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol (PubChem CID 65039215) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
PubChem CID65039215
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
SMILESCCC(CC)(CC)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-5-15(6-2,7-3)16-11-12-8-9-13(17)14(10-12)18-4/h8-10,16-17H,5-7,11H2,1-4H3
InChIKeyAMOIRZQSPKUOKI-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol
CID 62518899
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-ethylpentan-3-amine
CID 65039727
4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43740703
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
CID 113248212
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol
CID 65022002
4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol
CID 105057861
3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
CID 65039851
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol (CID 65039215) is 4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol is CCC(CC)(CC)NCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol?
The InChIKey is AMOIRZQSPKUOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(6-2,7-3)16-11-12-8-9-13(17)14(10-12)18-4/h8-10,16-17H,5-7,11H2,1-4H3.
What are the key properties of 4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol?
4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol has a molecular weight of 251.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 65039215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).