3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine

C15H14ClF3N2O — CID 22489915

IUPAC3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine
SMILESNCCC(Oc1cc(C(F)(F)F)ccc1Cl)c1ccccn1
InChIInChI=1S/C15H14ClF3N2O/c16-11-5-4-10(15(17,18)19)9-14(11)22-13(6-7-20)12-3-1-2-8-21-12/h1-5,8-9,13H,6-7,20H2
InChIKeyHNUSQDMAIQSOIZ-UHFFFAOYSA-N
MW330.74 g/mol
LogP4.22
Rot. Bonds5

About 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine

3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine (PubChem CID 22489915) has the molecular formula C15H14ClF3N2O and a molecular weight of 330.74 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine
PubChem CID22489915
Molecular FormulaC15H14ClF3N2O
Molecular Weight330.74 g/mol
Exact Mass330.07
IUPAC Name3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine
SMILESNCCC(Oc1cc(C(F)(F)F)ccc1Cl)c1ccccn1
InChIInChI=1S/C15H14ClF3N2O/c16-11-5-4-10(15(17,18)19)9-14(11)22-13(6-7-20)12-3-1-2-8-21-12/h1-5,8-9,13H,6-7,20H2
InChIKeyHNUSQDMAIQSOIZ-UHFFFAOYSA-N
XLogP4.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine (CID 22489915) is 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine is NCCC(Oc1cc(C(F)(F)F)ccc1Cl)c1ccccn1.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine?
The InChIKey is HNUSQDMAIQSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O/c16-11-5-4-10(15(17,18)19)9-14(11)22-13(6-7-20)12-3-1-2-8-21-12/h1-5,8-9,13H,6-7,20H2.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine?
3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine has a molecular weight of 330.74 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 22489915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).