3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline

C15H16F2N2 — CID 102813839

IUPAC3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline
SMILESCCN(c1ccc(F)cc1)c1cc(F)cc(CN)c1
InChIInChI=1S/C15H16F2N2/c1-2-19(14-5-3-12(16)4-6-14)15-8-11(10-18)7-13(17)9-15/h3-9H,2,10,18H2,1H3
InChIKeyQCCFAULSCMJYBC-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.58
Rot. Bonds4

About 3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline

3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline (PubChem CID 102813839) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline
PubChem CID102813839
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline
SMILESCCN(c1ccc(F)cc1)c1cc(F)cc(CN)c1
InChIInChI=1S/C15H16F2N2/c1-2-19(14-5-3-12(16)4-6-14)15-8-11(10-18)7-13(17)9-15/h3-9H,2,10,18H2,1H3
InChIKeyQCCFAULSCMJYBC-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
CID 102813533
4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935285
2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
CID 107926166
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
CID 102814011
3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
CID 102813482
5-(2-aminoethyl)-N-ethyl-N-(4-fluorophenyl)pyridin-2-amine
CID 80634293
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
CID 79515822
3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
CID 102813810
2-amino-4-(N-ethyl-4-fluoroanilino)benzoic acid
CID 104500531
ethane;(4-fluorophenyl)methanamine
CID 142071105
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
CID 102814302

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline?
The IUPAC name of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline (CID 102813839) is 3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline is CCN(c1ccc(F)cc1)c1cc(F)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline?
The InChIKey is QCCFAULSCMJYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-2-19(14-5-3-12(16)4-6-14)15-8-11(10-18)7-13(17)9-15/h3-9H,2,10,18H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline?
3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline has a molecular weight of 262.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 102813839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).