4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline

C16H17F3N2 — CID 63075774

IUPAC4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
SMILESCCNCc1cc(F)c(N(C)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C16H17F3N2/c1-3-20-10-11-7-14(18)16(15(19)8-11)21(2)13-6-4-5-12(17)9-13/h4-9,20H,3,10H2,1-2H3
InChIKeySRZDGBKYIVMAKM-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.98
Rot. Bonds5

About 4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline

4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline (PubChem CID 63075774) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
PubChem CID63075774
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
SMILESCCNCc1cc(F)c(N(C)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C16H17F3N2/c1-3-20-10-11-7-14(18)16(15(19)8-11)21(2)13-6-4-5-12(17)9-13/h4-9,20H,3,10H2,1-2H3
InChIKeySRZDGBKYIVMAKM-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-difluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882208
2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63551967
5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine
CID 83186234
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine
CID 80637668
3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide
CID 81293537
N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62292926
4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 107082587
3-[2,6-difluoro-4-(hydroxymethyl)-N-methylanilino]benzonitrile
CID 63075668
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435493
N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62295394

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline (CID 63075774) is 4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline is CCNCc1cc(F)c(N(C)c2cccc(F)c2)c(F)c1.
What is the InChIKey of 4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline?
The InChIKey is SRZDGBKYIVMAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-3-20-10-11-7-14(18)16(15(19)8-11)21(2)13-6-4-5-12(17)9-13/h4-9,20H,3,10H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline?
4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline has a molecular weight of 294.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 63075774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).