N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline

C16H26FN3 — CID 106531045

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline
SMILESCCN1CCCC1CN(C)c1cc(F)cc(CNC)c1
InChIInChI=1S/C16H26FN3/c1-4-20-7-5-6-15(20)12-19(3)16-9-13(11-18-2)8-14(17)10-16/h8-10,15,18H,4-7,11-12H2,1-3H3
InChIKeyWIXZAURJEWFJIJ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.47
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline (PubChem CID 106531045) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline
PubChem CID106531045
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline
SMILESCCN1CCCC1CN(C)c1cc(F)cc(CNC)c1
InChIInChI=1S/C16H26FN3/c1-4-20-7-5-6-15(20)12-19(3)16-9-13(11-18-2)8-14(17)10-16/h8-10,15,18H,4-7,11-12H2,1-3H3
InChIKeyWIXZAURJEWFJIJ-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106531044
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 79319429
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-fluoroaniline
CID 112646219
N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 106530752
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]methanamine
CID 79312500
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 79313774
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylaniline
CID 79318756
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283
5-fluoro-3-N-methyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 79304677
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106906839
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzonitrile
CID 79314436
(1S)-1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319186

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline (CID 106531045) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline is CCN1CCCC1CN(C)c1cc(F)cc(CNC)c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline?
The InChIKey is WIXZAURJEWFJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-4-20-7-5-6-15(20)12-19(3)16-9-13(11-18-2)8-14(17)10-16/h8-10,15,18H,4-7,11-12H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline has a molecular weight of 279.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline is sourced from PubChem (CID 106531045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).