2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline

C17H22FN3 — CID 43563618

IUPAC2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
SMILESCCCNCc1ccc(N(C)Cc2cccnc2)c(F)c1
InChIInChI=1S/C17H22FN3/c1-3-8-19-11-14-6-7-17(16(18)10-14)21(2)13-15-5-4-9-20-12-15/h4-7,9-10,12,19H,3,8,11,13H2,1-2H3
InChIKeySKDORZMKBXSCNK-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.36
Rot. Bonds7

About 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline

2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43563618) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
PubChem CID43563618
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
SMILESCCCNCc1ccc(N(C)Cc2cccnc2)c(F)c1
InChIInChI=1S/C17H22FN3/c1-3-8-19-11-14-6-7-17(16(18)10-14)21(2)13-15-5-4-9-20-12-15/h4-7,9-10,12,19H,3,8,11,13H2,1-2H3
InChIKeySKDORZMKBXSCNK-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565230
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563633
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072825
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147195
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 43658182
N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62434151
5-N-methyl-3-N-propyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533005
2-chloro-N-methyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 81147194

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline (CID 43563618) is 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline is CCCNCc1ccc(N(C)Cc2cccnc2)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is SKDORZMKBXSCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-8-19-11-14-6-7-17(16(18)10-14)21(2)13-15-5-4-9-20-12-15/h4-7,9-10,12,19H,3,8,11,13H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline?
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 287.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 43563618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).