2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol

C10H11ClF3NO — CID 117386940

IUPAC2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol
SMILESNCCCc1cc(Cl)cc(C(F)(F)F)c1O
InChIInChI=1S/C10H11ClF3NO/c11-7-4-6(2-1-3-15)9(16)8(5-7)10(12,13)14/h4-5,16H,1-3,15H2
InChIKeyBUELAVCEMNJIBG-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.96
Rot. Bonds3

About 2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol

2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol (PubChem CID 117386940) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol
PubChem CID117386940
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol
SMILESNCCCc1cc(Cl)cc(C(F)(F)F)c1O
InChIInChI=1S/C10H11ClF3NO/c11-7-4-6(2-1-3-15)9(16)8(5-7)10(12,13)14/h4-5,16H,1-3,15H2
InChIKeyBUELAVCEMNJIBG-UHFFFAOYSA-N
XLogP2.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol
CID 117353847
4-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]butan-1-amine
CID 117452182
2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol
CID 84708628
4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84787142
2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386945
2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol
CID 12868880
3-(5-chloro-2-fluoro-3-methylphenyl)propan-1-amine
CID 84776580
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-(trifluoromethyl)phenol
CID 117448625
4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108466
4-chloro-2-(chloromethyl)-6-(trifluoromethyl)aniline
CID 119021391
2-(3-aminopropyl)-4-(trifluoromethyl)phenol
CID 82262792
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol?
The IUPAC name of 2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol (CID 117386940) is 2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol is NCCCc1cc(Cl)cc(C(F)(F)F)c1O.
What is the InChIKey of 2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol?
The InChIKey is BUELAVCEMNJIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c11-7-4-6(2-1-3-15)9(16)8(5-7)10(12,13)14/h4-5,16H,1-3,15H2.
What are the key properties of 2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol?
2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol has a molecular weight of 253.65 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol is sourced from PubChem (CID 117386940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).