N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline

C15H18FN3 — CID 63887475

IUPACN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1ccnc(CN)c1)c1ccccc1F
InChIInChI=1S/C15H18FN3/c1-2-19(15-6-4-3-5-14(15)16)11-12-7-8-18-13(9-12)10-17/h3-9H,2,10-11,17H2,1H3
InChIKeyDWEGJIVDBPDQRZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.71
Rot. Bonds5

About N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline (PubChem CID 63887475) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
PubChem CID63887475
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1ccnc(CN)c1)c1ccccc1F
InChIInChI=1S/C15H18FN3/c1-2-19(15-6-4-3-5-14(15)16)11-12-7-8-18-13(9-12)10-17/h3-9H,2,10-11,17H2,1H3
InChIKeyDWEGJIVDBPDQRZ-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline (CID 63887475) is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline is CCN(Cc1ccnc(CN)c1)c1ccccc1F.
What is the InChIKey of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline?
The InChIKey is DWEGJIVDBPDQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-19(15-6-4-3-5-14(15)16)11-12-7-8-18-13(9-12)10-17/h3-9H,2,10-11,17H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline?
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline has a molecular weight of 259.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 63887475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).