N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline

C17H21FN2 — CID 95475072

IUPACN-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccc(F)cc2CCN)c(C)c1
InChIInChI=1S/C17H21FN2/c1-11-8-12(2)17(13(3)9-11)20-16-5-4-15(18)10-14(16)6-7-19/h4-5,8-10,20H,6-7,19H2,1-3H3
InChIKeyIJLGUSZHYBBMRK-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.00
Rot. Bonds4

About N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline

N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline (PubChem CID 95475072) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline
PubChem CID95475072
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccc(F)cc2CCN)c(C)c1
InChIInChI=1S/C17H21FN2/c1-11-8-12(2)17(13(3)9-11)20-16-5-4-15(18)10-14(16)6-7-19/h4-5,8-10,20H,6-7,19H2,1-3H3
InChIKeyIJLGUSZHYBBMRK-UHFFFAOYSA-N
XLogP4.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline (CID 95475072) is N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2ccc(F)cc2CCN)c(C)c1.
What is the InChIKey of N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline?
The InChIKey is IJLGUSZHYBBMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-11-8-12(2)17(13(3)9-11)20-16-5-4-15(18)10-14(16)6-7-19/h4-5,8-10,20H,6-7,19H2,1-3H3.
What are the key properties of N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline?
N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline has a molecular weight of 272.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 95475072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).