5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine

C16H18ClFN2O — CID 63937962

IUPAC5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(COCc2ccccc2F)n1
InChIInChI=1S/C16H18ClFN2O/c1-2-9-19-16-8-7-13(17)15(20-16)11-21-10-12-5-3-4-6-14(12)18/h3-8H,2,9-11H2,1H3,(H,19,20)
InChIKeyRKOOIICFNHULQL-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.41
Rot. Bonds7

About 5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine

5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine (PubChem CID 63937962) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine
PubChem CID63937962
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(COCc2ccccc2F)n1
InChIInChI=1S/C16H18ClFN2O/c1-2-9-19-16-8-7-13(17)15(20-16)11-21-10-12-5-3-4-6-14(12)18/h3-8H,2,9-11H2,1H3,(H,19,20)
InChIKeyRKOOIICFNHULQL-UHFFFAOYSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[(2,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63273486
5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63486695
5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
CID 63485717
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145
5-chloro-6-(2,2-difluoroethoxymethyl)-N-ethylpyridin-2-amine
CID 82005693
2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485042
5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486396
5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417
N-ethyl-5-[(2-fluorophenyl)methoxymethyl]pyrazin-2-amine
CID 103059095
6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine
CID 82831291

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine (CID 63937962) is 5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(COCc2ccccc2F)n1.
What is the InChIKey of 5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine?
The InChIKey is RKOOIICFNHULQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-2-9-19-16-8-7-13(17)15(20-16)11-21-10-12-5-3-4-6-14(12)18/h3-8H,2,9-11H2,1H3,(H,19,20).
What are the key properties of 5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine?
5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine has a molecular weight of 308.78 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63937962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).