2-propan-2-yloxyaniline;hydrochloride

C9H14ClNO — CID 24779669

IUPAC2-propan-2-yloxyaniline;hydrochloride
SMILESCC(C)Oc1ccccc1N.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7(2)11-9-6-4-3-5-8(9)10;/h3-7H,10H2,1-2H3;1H
InChIKeyFNNHHPXYKGNPLB-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.48
Rot. Bonds2

About 2-propan-2-yloxyaniline;hydrochloride

2-propan-2-yloxyaniline;hydrochloride (PubChem CID 24779669) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-propan-2-yloxyaniline;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yloxyaniline;hydrochloride
PubChem CID24779669
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name2-propan-2-yloxyaniline;hydrochloride
SMILESCC(C)Oc1ccccc1N.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7(2)11-9-6-4-3-5-8(9)10;/h3-7H,10H2,1-2H3;1H
InChIKeyFNNHHPXYKGNPLB-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline
CID 58649295
2-chloro-3-propan-2-yloxyaniline
CID 67383327
2-methyl-3-(2-propan-2-yloxyphenyl)aniline
CID 107626705
propan-2-yl 2-(2-aminophenoxy)propanoate
CID 82027633
2-methoxyaniline;dihydrochloride
CID 69020746
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
5-(2-methoxyphenyl)-2-propan-2-yloxyaniline
CID 164512499
2,5-di(propan-2-yloxy)aniline
CID 18997718
1,2-bis(2-aminophenoxy)ethane-1,2-didiazonium
CID 57145330
2-(4-methyl-1-phenylpentoxy)aniline
CID 139610143
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
4-bromo-2-propan-2-yloxyaniline
CID 50998232

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyaniline;hydrochloride?
The IUPAC name of 2-propan-2-yloxyaniline;hydrochloride (CID 24779669) is 2-propan-2-yloxyaniline;hydrochloride.
What is the SMILES notation for 2-propan-2-yloxyaniline;hydrochloride?
The canonical SMILES for 2-propan-2-yloxyaniline;hydrochloride is CC(C)Oc1ccccc1N.Cl.
What is the InChIKey of 2-propan-2-yloxyaniline;hydrochloride?
The InChIKey is FNNHHPXYKGNPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-7(2)11-9-6-4-3-5-8(9)10;/h3-7H,10H2,1-2H3;1H.
What are the key properties of 2-propan-2-yloxyaniline;hydrochloride?
2-propan-2-yloxyaniline;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyaniline;hydrochloride is sourced from PubChem (CID 24779669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).