(1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine

C16H16ClF3N2O — CID 141213856

IUPAC(1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCOc1ccc(Cl)cc1[C@H](N)CCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H16ClF3N2O/c1-23-14-6-4-11(17)8-12(14)13(21)5-2-10-3-7-15(22-9-10)16(18,19)20/h3-4,6-9,13H,2,5,21H2,1H3/t13-/m1/s1
InChIKeyVMVNRPJXBXSHEJ-CYBMUJFWSA-N
MW344.76 g/mol
LogP4.39
Rot. Bonds5

About (1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine

(1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine (PubChem CID 141213856) has the molecular formula C16H16ClF3N2O and a molecular weight of 344.76 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
PubChem CID141213856
Molecular FormulaC16H16ClF3N2O
Molecular Weight344.76 g/mol
Exact Mass344.09
IUPAC Name(1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCOc1ccc(Cl)cc1[C@H](N)CCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H16ClF3N2O/c1-23-14-6-4-11(17)8-12(14)13(21)5-2-10-3-7-15(22-9-10)16(18,19)20/h3-4,6-9,13H,2,5,21H2,1H3/t13-/m1/s1
InChIKeyVMVNRPJXBXSHEJ-CYBMUJFWSA-N
XLogP4.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine (CID 141213856) is (1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine is COc1ccc(Cl)cc1[C@H](N)CCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of (1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The InChIKey is VMVNRPJXBXSHEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16ClF3N2O/c1-23-14-6-4-11(17)8-12(14)13(21)5-2-10-3-7-15(22-9-10)16(18,19)20/h3-4,6-9,13H,2,5,21H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
(1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine has a molecular weight of 344.76 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 141213856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).