N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline

C18H23FN2 — CID 64763898

IUPACN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline
SMILESCCCCN(Cc1cc(F)ccc1CN)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-2-3-11-21(18-7-5-4-6-8-18)14-16-12-17(19)10-9-15(16)13-20/h4-10,12H,2-3,11,13-14,20H2,1H3
InChIKeyAZORPCJGVPCHHI-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.09
Rot. Bonds7

About N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline

N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline (PubChem CID 64763898) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline
PubChem CID64763898
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline
SMILESCCCCN(Cc1cc(F)ccc1CN)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-2-3-11-21(18-7-5-4-6-8-18)14-16-12-17(19)10-9-15(16)13-20/h4-10,12H,2-3,11,13-14,20H2,1H3
InChIKeyAZORPCJGVPCHHI-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline?
The IUPAC name of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline (CID 64763898) is N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline.
What is the SMILES notation for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline?
The canonical SMILES for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline is CCCCN(Cc1cc(F)ccc1CN)c1ccccc1.
What is the InChIKey of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline?
The InChIKey is AZORPCJGVPCHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-2-3-11-21(18-7-5-4-6-8-18)14-16-12-17(19)10-9-15(16)13-20/h4-10,12H,2-3,11,13-14,20H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline?
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline has a molecular weight of 286.39 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline is sourced from PubChem (CID 64763898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).