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

C15H17FN2O2 — CID 115591099

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
SMILESCOc1ccc(C(C)Nc2cccc(F)n2)cc1OC
InChIInChI=1S/C15H17FN2O2/c1-10(17-15-6-4-5-14(16)18-15)11-7-8-12(19-2)13(9-11)20-3/h4-10H,1-3H3,(H,17,18)
InChIKeyFJYLXSBPVRUBDM-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.41
Rot. Bonds5

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

N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine (PubChem CID 115591099) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
PubChem CID115591099
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
SMILESCOc1ccc(C(C)Nc2cccc(F)n2)cc1OC
InChIInChI=1S/C15H17FN2O2/c1-10(17-15-6-4-5-14(16)18-15)11-7-8-12(19-2)13(9-11)20-3/h4-10H,1-3H3,(H,17,18)
InChIKeyFJYLXSBPVRUBDM-UHFFFAOYSA-N
XLogP3.41
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.41
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)propyl]-6-fluoropyridin-2-amine
CID 116812981
N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
CID 113233091
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoropyridin-2-amine
CID 115598197
N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591068
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 171697744
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine
CID 133274740
6-fluoro-N-[1-(2-methoxyphenyl)propan-2-yl]pyridin-2-amine
CID 115591110
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
2-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-fluoroaniline
CID 107633267

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine (CID 115591099) is N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine is COc1ccc(C(C)Nc2cccc(F)n2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine?
The InChIKey is FJYLXSBPVRUBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10(17-15-6-4-5-14(16)18-15)11-7-8-12(19-2)13(9-11)20-3/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine?
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine has a molecular weight of 276.31 g/mol, XLogP of 3.41, 5 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)ethyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 115591099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).