1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine

C15H16ClFN2O — CID 79799715

IUPAC1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2c(F)cccc2Cl)cn1
InChIInChI=1S/C15H16ClFN2O/c1-10(18)7-11-5-6-12(8-19-11)20-9-13-14(16)3-2-4-15(13)17/h2-6,8,10H,7,9,18H2,1H3
InChIKeyYHOXRABKXRJGHH-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.34
Rot. Bonds5

About 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine

1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine (PubChem CID 79799715) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
PubChem CID79799715
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2c(F)cccc2Cl)cn1
InChIInChI=1S/C15H16ClFN2O/c1-10(18)7-11-5-6-12(8-19-11)20-9-13-14(16)3-2-4-15(13)17/h2-6,8,10H,7,9,18H2,1H3
InChIKeyYHOXRABKXRJGHH-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-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine (CID 79799715) is 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine is CC(N)Cc1ccc(OCc2c(F)cccc2Cl)cn1.
What is the InChIKey of 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The InChIKey is YHOXRABKXRJGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-10(18)7-11-5-6-12(8-19-11)20-9-13-14(16)3-2-4-15(13)17/h2-6,8,10H,7,9,18H2,1H3.
What are the key properties of 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
1-[5-[(2-chloro-6-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-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79799715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).