N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline

C17H21FN2 — CID 63289026

IUPACN-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
SMILESCCN(Cc1ccc(F)cc1CN)c1ccccc1C
InChIInChI=1S/C17H21FN2/c1-3-20(17-7-5-4-6-13(17)2)12-14-8-9-16(18)10-15(14)11-19/h4-10H,3,11-12,19H2,1-2H3
InChIKeyWLYWBDMGHZQGRA-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.62
Rot. Bonds5

About N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline

N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline (PubChem CID 63289026) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
PubChem CID63289026
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
SMILESCCN(Cc1ccc(F)cc1CN)c1ccccc1C
InChIInChI=1S/C17H21FN2/c1-3-20(17-7-5-4-6-13(17)2)12-14-8-9-16(18)10-15(14)11-19/h4-10H,3,11-12,19H2,1-2H3
InChIKeyWLYWBDMGHZQGRA-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline?
The IUPAC name of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline (CID 63289026) is N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline.
What is the SMILES notation for N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline?
The canonical SMILES for N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline is CCN(Cc1ccc(F)cc1CN)c1ccccc1C.
What is the InChIKey of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline?
The InChIKey is WLYWBDMGHZQGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-20(17-7-5-4-6-13(17)2)12-14-8-9-16(18)10-15(14)11-19/h4-10H,3,11-12,19H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline?
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline is sourced from PubChem (CID 63289026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).