2-[2-(3-fluoro-N-methylanilino)ethyl]aniline

C15H17FN2 — CID 62496077

IUPAC2-[2-(3-fluoro-N-methylanilino)ethyl]aniline
SMILESCN(CCc1ccccc1N)c1cccc(F)c1
InChIInChI=1S/C15H17FN2/c1-18(14-7-4-6-13(16)11-14)10-9-12-5-2-3-8-15(12)17/h2-8,11H,9-10,17H2,1H3
InChIKeyQUKOAOFTCBRQHZ-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-(3-fluoro-N-methylanilino)ethyl]aniline

2-[2-(3-fluoro-N-methylanilino)ethyl]aniline (PubChem CID 62496077) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-[2-(3-fluoro-N-methylanilino)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(3-fluoro-N-methylanilino)ethyl]aniline
PubChem CID62496077
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-[2-(3-fluoro-N-methylanilino)ethyl]aniline
SMILESCN(CCc1ccccc1N)c1cccc(F)c1
InChIInChI=1S/C15H17FN2/c1-18(14-7-4-6-13(16)11-14)10-9-12-5-2-3-8-15(12)17/h2-8,11H,9-10,17H2,1H3
InChIKeyQUKOAOFTCBRQHZ-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-N-methylanilino)propanal
CID 63041284
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
3-[2-(2-aminophenyl)ethyl-ethylamino]phenol
CID 107733931
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55089108
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-N-methylanilino)ethyl]aniline?
The IUPAC name of 2-[2-(3-fluoro-N-methylanilino)ethyl]aniline (CID 62496077) is 2-[2-(3-fluoro-N-methylanilino)ethyl]aniline.
What is the SMILES notation for 2-[2-(3-fluoro-N-methylanilino)ethyl]aniline?
The canonical SMILES for 2-[2-(3-fluoro-N-methylanilino)ethyl]aniline is CN(CCc1ccccc1N)c1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluoro-N-methylanilino)ethyl]aniline?
The InChIKey is QUKOAOFTCBRQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-18(14-7-4-6-13(16)11-14)10-9-12-5-2-3-8-15(12)17/h2-8,11H,9-10,17H2,1H3.
What are the key properties of 2-[2-(3-fluoro-N-methylanilino)ethyl]aniline?
2-[2-(3-fluoro-N-methylanilino)ethyl]aniline has a molecular weight of 244.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-N-methylanilino)ethyl]aniline is sourced from PubChem (CID 62496077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).