N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline

C18H23FN2 — CID 107454589

IUPACN-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline
SMILESCCN(Cc1cc(CNC)ccc1F)c1ccc(C)cc1
InChIInChI=1S/C18H23FN2/c1-4-21(17-8-5-14(2)6-9-17)13-16-11-15(12-20-3)7-10-18(16)19/h5-11,20H,4,12-13H2,1-3H3
InChIKeyOHNJOSAMOWILQR-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.88
Rot. Bonds6

About N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline

N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline (PubChem CID 107454589) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline.

Molecular Properties

Compound NameN-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline
PubChem CID107454589
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline
SMILESCCN(Cc1cc(CNC)ccc1F)c1ccc(C)cc1
InChIInChI=1S/C18H23FN2/c1-4-21(17-8-5-14(2)6-9-17)13-16-11-15(12-20-3)7-10-18(16)19/h5-11,20H,4,12-13H2,1-3H3
InChIKeyOHNJOSAMOWILQR-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
4-[(N-ethyl-4-methylanilino)methyl]-3-fluoroaniline
CID 64768076
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline
CID 28968123
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-ethyl-3-fluoroaniline
CID 102770073
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpentan-1-amine
CID 107454220
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 107454826
2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 107454661
4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine
CID 62120225
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,4-dimethylaniline
CID 102770113
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903
1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 107454369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline?
The IUPAC name of N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline (CID 107454589) is N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline.
What is the SMILES notation for N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline?
The canonical SMILES for N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline is CCN(Cc1cc(CNC)ccc1F)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline?
The InChIKey is OHNJOSAMOWILQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-21(17-8-5-14(2)6-9-17)13-16-11-15(12-20-3)7-10-18(16)19/h5-11,20H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline?
N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline has a molecular weight of 286.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline is sourced from PubChem (CID 107454589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).