N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine

C16H19FN2O2 — CID 116812981

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine
SMILESCCC(Nc1cccc(F)n1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H19FN2O2/c1-4-12(18-16-7-5-6-15(17)19-16)11-8-9-13(20-2)14(10-11)21-3/h5-10,12H,4H2,1-3H3,(H,18,19)
InChIKeyKGUGTECAPARKGY-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.80
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine

N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine (PubChem CID 116812981) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine
PubChem CID116812981
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine
SMILESCCC(Nc1cccc(F)n1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H19FN2O2/c1-4-12(18-16-7-5-6-15(17)19-16)11-8-9-13(20-2)14(10-11)21-3/h5-10,12H,4H2,1-3H3,(H,18,19)
InChIKeyKGUGTECAPARKGY-UHFFFAOYSA-N
XLogP3.80
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591099
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine
CID 116812935
N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine
CID 43539839
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591068
1-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 103778096
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(3-fluorophenyl)thiourea
CID 133216611
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine (CID 116812981) is N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine is CCC(Nc1cccc(F)n1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine?
The InChIKey is KGUGTECAPARKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-4-12(18-16-7-5-6-15(17)19-16)11-8-9-13(20-2)14(10-11)21-3/h5-10,12H,4H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine?
N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine has a molecular weight of 290.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 116812981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).