N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine

C17H21FN2O — CID 107658828

IUPACN-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2cccc(C)c2F)nc1
InChIInChI=1S/C17H21FN2O/c1-4-10-19-13(3)14-8-9-16(20-11-14)21-15-7-5-6-12(2)17(15)18/h5-9,11,13,19H,4,10H2,1-3H3
InChIKeyOGXRRLRRNCVQLR-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.38
Rot. Bonds6

About N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine

N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine (PubChem CID 107658828) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine
PubChem CID107658828
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2cccc(C)c2F)nc1
InChIInChI=1S/C17H21FN2O/c1-4-10-19-13(3)14-8-9-16(20-11-14)21-15-7-5-6-12(2)17(15)18/h5-9,11,13,19H,4,10H2,1-3H3
InChIKeyOGXRRLRRNCVQLR-UHFFFAOYSA-N
XLogP4.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660920
1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107656957
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
(1S)-1-[6-(5-fluoro-2-methylphenoxy)-3-pyridinyl]ethanol
CID 102989853
6-(2-fluoro-3-methylphenoxy)pyridine-3-sulfonamide
CID 107655560
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 107659620
2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine
CID 107662786

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine (CID 107658828) is N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Oc2cccc(C)c2F)nc1.
What is the InChIKey of N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine?
The InChIKey is OGXRRLRRNCVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-4-10-19-13(3)14-8-9-16(20-11-14)21-15-7-5-6-12(2)17(15)18/h5-9,11,13,19H,4,10H2,1-3H3.
What are the key properties of N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine?
N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine has a molecular weight of 288.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 107658828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).