N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine

C17H22FN3 — CID 62283567

IUPACN-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccc(N(CC)c2ccc(F)cc2)nc1
InChIInChI=1S/C17H22FN3/c1-3-11-19-12-14-5-10-17(20-13-14)21(4-2)16-8-6-15(18)7-9-16/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyGVZHZGPWAODEKZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.88
Rot. Bonds7

About N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine

N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 62283567) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine
PubChem CID62283567
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccc(N(CC)c2ccc(F)cc2)nc1
InChIInChI=1S/C17H22FN3/c1-3-11-19-12-14-5-10-17(20-13-14)21(4-2)16-8-6-15(18)7-9-16/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyGVZHZGPWAODEKZ-UHFFFAOYSA-N
XLogP3.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62293723
5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine
CID 80634293
N-ethyl-5-(ethylaminomethyl)-N-(4-fluorophenyl)pyrazin-2-amine
CID 107379467
N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551
N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639944
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378961
N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline
CID 63552706
N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63550661
N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine
CID 62294939
N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768912

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine (CID 62283567) is N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccc(N(CC)c2ccc(F)cc2)nc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is GVZHZGPWAODEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-11-19-12-14-5-10-17(20-13-14)21(4-2)16-8-6-15(18)7-9-16/h5-10,13,19H,3-4,11-12H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine?
N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62283567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).