2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol

C16H16ClF3N2O — CID 141052618

IUPAC2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C16H16ClF3N2O/c1-15(2,23)9-3-5-10(6-4-9)22-14-8-12(17)11(7-13(14)21)16(18,19)20/h3-8,22-23H,21H2,1-2H3
InChIKeyCJXBITCZZRDXIN-UHFFFAOYSA-N
MW344.76 g/mol
LogP4.91
Rot. Bonds3

About 2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol

2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol (PubChem CID 141052618) has the molecular formula C16H16ClF3N2O and a molecular weight of 344.76 g/mol. Its IUPAC name is 2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol
PubChem CID141052618
Molecular FormulaC16H16ClF3N2O
Molecular Weight344.76 g/mol
Exact Mass344.09
IUPAC Name2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C16H16ClF3N2O/c1-15(2,23)9-3-5-10(6-4-9)22-14-8-12(17)11(7-13(14)21)16(18,19)20/h3-8,22-23H,21H2,1-2H3
InChIKeyCJXBITCZZRDXIN-UHFFFAOYSA-N
XLogP4.91
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol (CID 141052618) is 2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol is CC(C)(O)c1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2N)cc1.
What is the InChIKey of 2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol?
The InChIKey is CJXBITCZZRDXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O/c1-15(2,23)9-3-5-10(6-4-9)22-14-8-12(17)11(7-13(14)21)16(18,19)20/h3-8,22-23H,21H2,1-2H3.
What are the key properties of 2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol?
2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol has a molecular weight of 344.76 g/mol, XLogP of 4.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-5-chloro-4-(trifluoromethyl)anilino]phenyl]propan-2-ol is sourced from PubChem (CID 141052618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).