2,6-bis[(hydroxyamino)methyl]-4-propylphenol

C11H18N2O3 — CID 174667863

IUPAC2,6-bis[(hydroxyamino)methyl]-4-propylphenol
SMILESCCCc1cc(CNO)c(O)c(CNO)c1
InChIInChI=1S/C11H18N2O3/c1-2-3-8-4-9(6-12-15)11(14)10(5-8)7-13-16/h4-5,12-16H,2-3,6-7H2,1H3
InChIKeyLRMLVODMIZESGH-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.30
Rot. Bonds6

About 2,6-bis[(hydroxyamino)methyl]-4-propylphenol

2,6-bis[(hydroxyamino)methyl]-4-propylphenol (PubChem CID 174667863) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,6-bis[(hydroxyamino)methyl]-4-propylphenol.

Molecular Properties

Compound Name2,6-bis[(hydroxyamino)methyl]-4-propylphenol
PubChem CID174667863
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2,6-bis[(hydroxyamino)methyl]-4-propylphenol
SMILESCCCc1cc(CNO)c(O)c(CNO)c1
InChIInChI=1S/C11H18N2O3/c1-2-3-8-4-9(6-12-15)11(14)10(5-8)7-13-16/h4-5,12-16H,2-3,6-7H2,1H3
InChIKeyLRMLVODMIZESGH-UHFFFAOYSA-N
XLogP1.30
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Tris((dimethylamino)methyl)phenol
CID 7026
2-(Aminomethyl)phenol
CID 70267
4-Tert-butyl-2,6-bis((dimethylamino)methyl)phenol
CID 223214
4-(2-Aminoethyl)-2-ethylphenol
CID 24748050
4-[2-(Methoxyamino)ethyl]phenol
CID 20476240
o-Cresol, alpha-(dimethylamino)-4-ethyl-
CID 41672
2-(Aminomethyl)-4-tert-butylphenol hydrochloride
CID 21296950
2-Aminomethyl-4-t-butyl-6-iodophenol
CID 119286
2-Aminomethyl-4-tert-butyl-6-iodophenol hydrochloride
CID 12634263
2-[(dimethylamino)methyl]-4-[(E)-3-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]but-2-en-2-yl]phenol
CID 46241427
2,4-Bis((dimethylamino)methyl)phenol
CID 79473
2-(1-Aminoethyl)phenol
CID 241456

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(hydroxyamino)methyl]-4-propylphenol?
The IUPAC name of 2,6-bis[(hydroxyamino)methyl]-4-propylphenol (CID 174667863) is 2,6-bis[(hydroxyamino)methyl]-4-propylphenol.
What is the SMILES notation for 2,6-bis[(hydroxyamino)methyl]-4-propylphenol?
The canonical SMILES for 2,6-bis[(hydroxyamino)methyl]-4-propylphenol is CCCc1cc(CNO)c(O)c(CNO)c1.
What is the InChIKey of 2,6-bis[(hydroxyamino)methyl]-4-propylphenol?
The InChIKey is LRMLVODMIZESGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-3-8-4-9(6-12-15)11(14)10(5-8)7-13-16/h4-5,12-16H,2-3,6-7H2,1H3.
What are the key properties of 2,6-bis[(hydroxyamino)methyl]-4-propylphenol?
2,6-bis[(hydroxyamino)methyl]-4-propylphenol has a molecular weight of 226.28 g/mol, XLogP of 1.30, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(hydroxyamino)methyl]-4-propylphenol is sourced from PubChem (CID 174667863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).