2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol

C16H27NO2 — CID 65039266

IUPAC2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
SMILESCCOc1cccc(CNC(CC)(CC)CC)c1O
InChIInChI=1S/C16H27NO2/c1-5-16(6-2,7-3)17-12-13-10-9-11-14(15(13)18)19-8-4/h9-11,17-18H,5-8,12H2,1-4H3
InChIKeySZRKBJNHJZLVKC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.85
Rot. Bonds8

About 2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol

2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol (PubChem CID 65039266) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
PubChem CID65039266
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
SMILESCCOc1cccc(CNC(CC)(CC)CC)c1O
InChIInChI=1S/C16H27NO2/c1-5-16(6-2,7-3)17-12-13-10-9-11-14(15(13)18)19-8-4/h9-11,17-18H,5-8,12H2,1-4H3
InChIKeySZRKBJNHJZLVKC-UHFFFAOYSA-N
XLogP3.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
CID 114941057
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol
CID 82715781
2-ethoxy-6-[(4,4,4-trifluorobutan-2-ylamino)methyl]phenol
CID 104854721
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propane-1,2-diol
CID 66174868
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol (CID 65039266) is 2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol is CCOc1cccc(CNC(CC)(CC)CC)c1O.
What is the InChIKey of 2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol?
The InChIKey is SZRKBJNHJZLVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-16(6-2,7-3)17-12-13-10-9-11-14(15(13)18)19-8-4/h9-11,17-18H,5-8,12H2,1-4H3.
What are the key properties of 2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol?
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol has a molecular weight of 265.40 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol is sourced from PubChem (CID 65039266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).