1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine

C15H16ClFN2O — CID 79796249

IUPAC1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C15H16ClFN2O/c1-10(18)6-13-4-5-14(8-19-13)20-9-11-2-3-12(17)7-15(11)16/h2-5,7-8,10H,6,9,18H2,1H3
InChIKeyHHLSKJBFYVCFQY-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.34
Rot. Bonds5

About 1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine

1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine (PubChem CID 79796249) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
PubChem CID79796249
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C15H16ClFN2O/c1-10(18)6-13-4-5-14(8-19-13)20-9-11-2-3-12(17)7-15(11)16/h2-5,7-8,10H,6,9,18H2,1H3
InChIKeyHHLSKJBFYVCFQY-UHFFFAOYSA-N
XLogP3.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine (CID 79796249) is 1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine is CC(N)Cc1ccc(OCc2ccc(F)cc2Cl)cn1.
What is the InChIKey of 1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The InChIKey is HHLSKJBFYVCFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-10(18)6-13-4-5-14(8-19-13)20-9-11-2-3-12(17)7-15(11)16/h2-5,7-8,10H,6,9,18H2,1H3.
What are the key properties of 1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine has a molecular weight of 294.76 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79796249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).