4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine

C15H17FN2 — CID 55209659

IUPAC4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine
SMILESCC(c1ccccc1F)N(C)c1ccc(N)cc1
InChIInChI=1S/C15H17FN2/c1-11(14-5-3-4-6-15(14)16)18(2)13-9-7-12(17)8-10-13/h3-11H,17H2,1-2H3
InChIKeyGHBADMIQPKJVNL-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.61
Rot. Bonds3

About 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine

4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine (PubChem CID 55209659) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine
PubChem CID55209659
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine
SMILESCC(c1ccccc1F)N(C)c1ccc(N)cc1
InChIInChI=1S/C15H17FN2/c1-11(14-5-3-4-6-15(14)16)18(2)13-9-7-12(17)8-10-13/h3-11H,17H2,1-2H3
InChIKeyGHBADMIQPKJVNL-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine
CID 83122869
3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
CID 63062748
4-[1-(N-methylanilino)ethyl]aniline
CID 82024536
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline
CID 102369575
4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol
CID 62978067
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
4-fluoro-3-propan-2-ylaniline
CID 45090554
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
CID 107274465
5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960866

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine (CID 55209659) is 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine is CC(c1ccccc1F)N(C)c1ccc(N)cc1.
What is the InChIKey of 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
The InChIKey is GHBADMIQPKJVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11(14-5-3-4-6-15(14)16)18(2)13-9-7-12(17)8-10-13/h3-11H,17H2,1-2H3.
What are the key properties of 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine has a molecular weight of 244.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 55209659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).