2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride

C10H13ClF3NO — CID 2894791

IUPAC2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride
SMILESCC(C)Oc1ccc(C(F)(F)F)cc1N.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-6(2)15-9-4-3-7(5-8(9)14)10(11,12)13;/h3-6H,14H2,1-2H3;1H
InChIKeyDTHQVXDLQUZSJX-UHFFFAOYSA-N
MW255.67 g/mol
LogP3.50
Rot. Bonds2

About 2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride

2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride (PubChem CID 2894791) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is 2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride
PubChem CID2894791
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride
SMILESCC(C)Oc1ccc(C(F)(F)F)cc1N.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-6(2)15-9-4-3-7(5-8(9)14)10(11,12)13;/h3-6H,14H2,1-2H3;1H
InChIKeyDTHQVXDLQUZSJX-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 53.50
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-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 157049199
2,5-di(propan-2-yloxy)aniline
CID 18997718
2-[2-(2-methylpropoxy)ethoxy]-5-(trifluoromethyl)aniline
CID 106446774
2-(2-methylpentoxy)-5-(trifluoromethyl)aniline
CID 45075240
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
3-amino-4-propan-2-yloxybenzenethiol
CID 155017605
2-[2-(3-methylbutoxy)ethoxy]-5-(trifluoromethyl)aniline
CID 82008322
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene
CID 146049346
2-(4-amino-3-propan-2-yloxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89215606
1-nitro-2-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 125116617

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride?
The IUPAC name of 2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride (CID 2894791) is 2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride.
What is the SMILES notation for 2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride?
The canonical SMILES for 2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride is CC(C)Oc1ccc(C(F)(F)F)cc1N.Cl.
What is the InChIKey of 2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride?
The InChIKey is DTHQVXDLQUZSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c1-6(2)15-9-4-3-7(5-8(9)14)10(11,12)13;/h3-6H,14H2,1-2H3;1H.
What are the key properties of 2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride?
2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride is sourced from PubChem (CID 2894791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).