3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine

C10H11ClF3NO — CID 83409125

IUPAC3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCCCOc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO/c11-9-3-2-7(16-5-1-4-15)6-8(9)10(12,13)14/h2-3,6H,1,4-5,15H2
InChIKeyJESKNFDOLYHQKZ-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.09
Rot. Bonds4

About 3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine

3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 83409125) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID83409125
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCCCOc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO/c11-9-3-2-7(16-5-1-4-15)6-8(9)10(12,13)14/h2-3,6H,1,4-5,15H2
InChIKeyJESKNFDOLYHQKZ-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 168679987
1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene
CID 154320529
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline
CID 164576758
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline;dihydrochloride
CID 164576757
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
5-(3-aminopropoxy)-2-chlorobenzoic acid
CID 106500800
5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786
2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine
CID 163408289
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene
CID 59627189
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine (CID 83409125) is 3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine is NCCCOc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is JESKNFDOLYHQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c11-9-3-2-7(16-5-1-4-15)6-8(9)10(12,13)14/h2-3,6H,1,4-5,15H2.
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine?
3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 253.65 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 83409125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).