5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline

C16H18ClFN2 — CID 114850518

IUPAC5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline
SMILESCCNCc1ccc(Cl)cc1N(C)c1ccccc1F
InChIInChI=1S/C16H18ClFN2/c1-3-19-11-12-8-9-13(17)10-16(12)20(2)15-7-5-4-6-14(15)18/h4-10,19H,3,11H2,1-2H3
InChIKeyQDEFSHVQMSMCQY-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.36
Rot. Bonds5

About 5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline

5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline (PubChem CID 114850518) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline
PubChem CID114850518
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline
SMILESCCNCc1ccc(Cl)cc1N(C)c1ccccc1F
InChIInChI=1S/C16H18ClFN2/c1-3-19-11-12-8-9-13(17)10-16(12)20(2)15-7-5-4-6-14(15)18/h4-10,19H,3,11H2,1-2H3
InChIKeyQDEFSHVQMSMCQY-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114853034
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
5-chloro-N-methyl-N-(3-methylphenyl)-2-(propylaminomethyl)aniline
CID 114850483
5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114849309
2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115124390
5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline
CID 114852451
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline?
The IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline (CID 114850518) is 5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline?
The canonical SMILES for 5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline is CCNCc1ccc(Cl)cc1N(C)c1ccccc1F.
What is the InChIKey of 5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline?
The InChIKey is QDEFSHVQMSMCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-19-11-12-8-9-13(17)10-16(12)20(2)15-7-5-4-6-14(15)18/h4-10,19H,3,11H2,1-2H3.
What are the key properties of 5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline?
5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline has a molecular weight of 292.79 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 114850518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).