2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline

C13H21FN2 — CID 63783053

IUPAC2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
SMILESCCCN(CC)c1ccc(F)cc1CCN
InChIInChI=1S/C13H21FN2/c1-3-9-16(4-2)13-6-5-12(14)10-11(13)7-8-15/h5-6,10H,3-4,7-9,15H2,1-2H3
InChIKeyFDIDRTQHVTZSLM-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.56
Rot. Bonds6

About 2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline

2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline (PubChem CID 63783053) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
PubChem CID63783053
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
SMILESCCCN(CC)c1ccc(F)cc1CCN
InChIInChI=1S/C13H21FN2/c1-3-9-16(4-2)13-6-5-12(14)10-11(13)7-8-15/h5-6,10H,3-4,7-9,15H2,1-2H3
InChIKeyFDIDRTQHVTZSLM-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
2-(2-aminoethyl)-N-ethyl-N-propylaniline
CID 63782884
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833
2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79489813
2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
CID 43312974
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
CID 81166516
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112666798
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 63783578
1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol
CID 79384354
2-(chloromethyl)-4-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63567113

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline?
The IUPAC name of 2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline (CID 63783053) is 2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline is CCCN(CC)c1ccc(F)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline?
The InChIKey is FDIDRTQHVTZSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-3-9-16(4-2)13-6-5-12(14)10-11(13)7-8-15/h5-6,10H,3-4,7-9,15H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline?
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline has a molecular weight of 224.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline is sourced from PubChem (CID 63783053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).