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

C11H17FN2 — CID 56604751

IUPAC2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
SMILESCCN(CC)c1cccc(F)c1CN
InChIInChI=1S/C11H17FN2/c1-3-14(4-2)11-7-5-6-10(12)9(11)8-13/h5-7H,3-4,8,13H2,1-2H3
InChIKeyMJKOFJIJKBDALR-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.13
Rot. Bonds4

About 2-(aminomethyl)-N,N-diethyl-3-fluoroaniline

2-(aminomethyl)-N,N-diethyl-3-fluoroaniline (PubChem CID 56604751) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-diethyl-3-fluoroaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
PubChem CID56604751
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
SMILESCCN(CC)c1cccc(F)c1CN
InChIInChI=1S/C11H17FN2/c1-3-14(4-2)11-7-5-6-10(12)9(11)8-13/h5-7H,3-4,8,13H2,1-2H3
InChIKeyMJKOFJIJKBDALR-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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Related Compounds

2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 79516687
2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline
CID 79517983
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
CID 79515822
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol
CID 107733625
N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 79516525
2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 79517600
2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline
CID 79515815
2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
CID 79517799
2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline
CID 114879435

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-diethyl-3-fluoroaniline?
The IUPAC name of 2-(aminomethyl)-N,N-diethyl-3-fluoroaniline (CID 56604751) is 2-(aminomethyl)-N,N-diethyl-3-fluoroaniline.
What is the SMILES notation for 2-(aminomethyl)-N,N-diethyl-3-fluoroaniline?
The canonical SMILES for 2-(aminomethyl)-N,N-diethyl-3-fluoroaniline is CCN(CC)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-N,N-diethyl-3-fluoroaniline?
The InChIKey is MJKOFJIJKBDALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-14(4-2)11-7-5-6-10(12)9(11)8-13/h5-7H,3-4,8,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-diethyl-3-fluoroaniline?
2-(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 2-(aminomethyl)-N,N-diethyl-3-fluoroaniline is sourced from PubChem (CID 56604751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).