N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline

C18H23FN2 — CID 62429303

IUPACN-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
SMILESCCNCc1cccc(CN(CC)c2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN2/c1-3-20-13-15-6-5-7-16(12-15)14-21(4-2)18-10-8-17(19)9-11-18/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyJNNBGKYMDDBBBY-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.96
Rot. Bonds7

About N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline

N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline (PubChem CID 62429303) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
PubChem CID62429303
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
SMILESCCNCc1cccc(CN(CC)c2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN2/c1-3-20-13-15-6-5-7-16(12-15)14-21(4-2)18-10-8-17(19)9-11-18/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyJNNBGKYMDDBBBY-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline
CID 63459009
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline
CID 62429847
4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline
CID 63189385
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
N,N-diethyl-4-fluoroaniline
CID 592416
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline?
The IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline (CID 62429303) is N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline.
What is the SMILES notation for N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline?
The canonical SMILES for N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline is CCNCc1cccc(CN(CC)c2ccc(F)cc2)c1.
What is the InChIKey of N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline?
The InChIKey is JNNBGKYMDDBBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-20-13-15-6-5-7-16(12-15)14-21(4-2)18-10-8-17(19)9-11-18/h5-12,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline?
N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline has a molecular weight of 286.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline is sourced from PubChem (CID 62429303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).