4-(aminomethyl)-N,N-diethyl-3-fluoroaniline

C11H17FN2 — CID 115366634

IUPAC4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
SMILESCCN(CC)c1ccc(CN)c(F)c1
InChIInChI=1S/C11H17FN2/c1-3-14(4-2)10-6-5-9(8-13)11(12)7-10/h5-7H,3-4,8,13H2,1-2H3
InChIKeyIRZKOBRRBHZLPA-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.13
Rot. Bonds4

About 4-(aminomethyl)-N,N-diethyl-3-fluoroaniline

4-(aminomethyl)-N,N-diethyl-3-fluoroaniline (PubChem CID 115366634) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-diethyl-3-fluoroaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
PubChem CID115366634
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
SMILESCCN(CC)c1ccc(CN)c(F)c1
InChIInChI=1S/C11H17FN2/c1-3-14(4-2)10-6-5-9(8-13)11(12)7-10/h5-7H,3-4,8,13H2,1-2H3
InChIKeyIRZKOBRRBHZLPA-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-diethyl-3-fluoroaniline?
The IUPAC name of 4-(aminomethyl)-N,N-diethyl-3-fluoroaniline (CID 115366634) is 4-(aminomethyl)-N,N-diethyl-3-fluoroaniline.
What is the SMILES notation for 4-(aminomethyl)-N,N-diethyl-3-fluoroaniline?
The canonical SMILES for 4-(aminomethyl)-N,N-diethyl-3-fluoroaniline is CCN(CC)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N,N-diethyl-3-fluoroaniline?
The InChIKey is IRZKOBRRBHZLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-14(4-2)10-6-5-9(8-13)11(12)7-10/h5-7H,3-4,8,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,N-diethyl-3-fluoroaniline?
4-(aminomethyl)-N,N-diethyl-3-fluoroaniline has a molecular weight of 196.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-diethyl-3-fluoroaniline is sourced from PubChem (CID 115366634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).