N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline

C18H23FN2 — CID 63553268

IUPACN-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline
SMILESCCNCc1ccc(N(CC)c2ccc(F)cc2)cc1C
InChIInChI=1S/C18H23FN2/c1-4-20-13-15-6-9-18(12-14(15)3)21(5-2)17-10-7-16(19)8-11-17/h6-12,20H,4-5,13H2,1-3H3
InChIKeyYQBJILMRATYTKM-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.40
Rot. Bonds6

About N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline

N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline (PubChem CID 63553268) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline.

Molecular Properties

Compound NameN-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline
PubChem CID63553268
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline
SMILESCCNCc1ccc(N(CC)c2ccc(F)cc2)cc1C
InChIInChI=1S/C18H23FN2/c1-4-20-13-15-6-9-18(12-14(15)3)21(5-2)17-10-7-16(19)8-11-17/h6-12,20H,4-5,13H2,1-3H3
InChIKeyYQBJILMRATYTKM-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
CID 63551327
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
CID 104552910
N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62136544
N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63550661
N-ethyl-5-(ethylaminomethyl)-N-(4-fluorophenyl)pyrazin-2-amine
CID 107379467
2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
CID 62129619
4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 62123655
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
CID 63550597
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline?
The IUPAC name of N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline (CID 63553268) is N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline.
What is the SMILES notation for N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline?
The canonical SMILES for N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline is CCNCc1ccc(N(CC)c2ccc(F)cc2)cc1C.
What is the InChIKey of N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline?
The InChIKey is YQBJILMRATYTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-20-13-15-6-9-18(12-14(15)3)21(5-2)17-10-7-16(19)8-11-17/h6-12,20H,4-5,13H2,1-3H3.
What are the key properties of N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline?
N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline has a molecular weight of 286.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline is sourced from PubChem (CID 63553268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).