N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline

C12H19FN2 — CID 106530735

IUPACN,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
SMILESCCN(CC)c1cc(F)cc(CNC)c1
InChIInChI=1S/C12H19FN2/c1-4-15(5-2)12-7-10(9-14-3)6-11(13)8-12/h6-8,14H,4-5,9H2,1-3H3
InChIKeyIPMYGFCOSHATPZ-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.39
Rot. Bonds5

About N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline

N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline (PubChem CID 106530735) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
PubChem CID106530735
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
SMILESCCN(CC)c1cc(F)cc(CNC)c1
InChIInChI=1S/C12H19FN2/c1-4-15(5-2)12-7-10(9-14-3)6-11(13)8-12/h6-8,14H,4-5,9H2,1-3H3
InChIKeyIPMYGFCOSHATPZ-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
CID 107402449
N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
CID 106532103
N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 106530752
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline
CID 106530942
3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 106530897
N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline
CID 107402459
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 106530794
[3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol
CID 106529981
3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
CID 102813533
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline
CID 106531045
3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 106532513

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline?
The IUPAC name of N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline (CID 106530735) is N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline.
What is the SMILES notation for N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline?
The canonical SMILES for N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline is CCN(CC)c1cc(F)cc(CNC)c1.
What is the InChIKey of N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline?
The InChIKey is IPMYGFCOSHATPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-15(5-2)12-7-10(9-14-3)6-11(13)8-12/h6-8,14H,4-5,9H2,1-3H3.
What are the key properties of N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline?
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline has a molecular weight of 210.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline is sourced from PubChem (CID 106530735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).