2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride

C9H14ClNO2 — CID 175909559

IUPAC2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride
SMILESCCc1cc(C)ccc1N(O)O.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-3-8-6-7(2)4-5-9(8)10(11)12;/h4-6,11-12H,3H2,1-2H3;1H
InChIKeyQJQZVFIKURHTOZ-UHFFFAOYSA-N
MW203.67 g/mol
LogP2.56
Rot. Bonds2

About 2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride

2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride (PubChem CID 175909559) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride
PubChem CID175909559
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride
SMILESCCc1cc(C)ccc1N(O)O.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-3-8-6-7(2)4-5-9(8)10(11)12;/h4-6,11-12H,3H2,1-2H3;1H
InChIKeyQJQZVFIKURHTOZ-UHFFFAOYSA-N
XLogP2.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 23084353
N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine
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2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
CID 57313101
2-ethyl-N,N,5-trimethylaniline
CID 59382459
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
N,2-diethyl-4-methylaniline
CID 23348946
2-ethyl-4-methylbenzoic acid
CID 19886963
N-(2-ethyl-4-methylphenyl)propanamide
CID 90352566
1-(2-ethyl-4-methylphenyl)butan-1-ol
CID 167052415
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride?
The IUPAC name of 2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride (CID 175909559) is 2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride.
What is the SMILES notation for 2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride?
The canonical SMILES for 2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride is CCc1cc(C)ccc1N(O)O.Cl.
What is the InChIKey of 2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride?
The InChIKey is QJQZVFIKURHTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-3-8-6-7(2)4-5-9(8)10(11)12;/h4-6,11-12H,3H2,1-2H3;1H.
What are the key properties of 2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride?
2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride is sourced from PubChem (CID 175909559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).