4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline

C17H21FN2 — CID 63786193

IUPAC4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline
SMILESCCN(c1ccc(CCN)c(C)c1)c1ccccc1F
InChIInChI=1S/C17H21FN2/c1-3-20(17-7-5-4-6-16(17)18)15-9-8-14(10-11-19)13(2)12-15/h4-9,12H,3,10-11,19H2,1-2H3
InChIKeyUXQOGBKSTQXZGN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.79
Rot. Bonds5

About 4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline

4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline (PubChem CID 63786193) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline
PubChem CID63786193
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline
SMILESCCN(c1ccc(CCN)c(C)c1)c1ccccc1F
InChIInChI=1S/C17H21FN2/c1-3-20(17-7-5-4-6-16(17)18)15-9-8-14(10-11-19)13(2)12-15/h4-9,12H,3,10-11,19H2,1-2H3
InChIKeyUXQOGBKSTQXZGN-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid
CID 62135800
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489
4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
CID 63783395
4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
CID 63784239
4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
CID 55237346
1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
CID 103590266
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 113295432
4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline
CID 63785848
4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
CID 63786177
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine
CID 79176696
4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817689

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline (CID 63786193) is 4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline is CCN(c1ccc(CCN)c(C)c1)c1ccccc1F.
What is the InChIKey of 4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline?
The InChIKey is UXQOGBKSTQXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-20(17-7-5-4-6-16(17)18)15-9-8-14(10-11-19)13(2)12-15/h4-9,12H,3,10-11,19H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline?
4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline is sourced from PubChem (CID 63786193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).