N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine

C14H24FN3 — CID 62554048

IUPACN-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCN(CCNCCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H24FN3/c1-4-18(12-10-16-9-11-17(2)3)14-7-5-13(15)6-8-14/h5-8,16H,4,9-12H2,1-3H3
InChIKeyGVSORVVZMXMBKC-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.80
Rot. Bonds8

About N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 62554048) has the molecular formula C14H24FN3 and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID62554048
Molecular FormulaC14H24FN3
Molecular Weight253.37 g/mol
Exact Mass253.20
IUPAC NameN-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCN(CCNCCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H24FN3/c1-4-18(12-10-16-9-11-17(2)3)14-7-5-13(15)6-8-14/h5-8,16H,4,9-12H2,1-3H3
InChIKeyGVSORVVZMXMBKC-UHFFFAOYSA-N
XLogP1.80
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Methylaniline
CID 7515
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
N-Isopropylaniline
CID 13032
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
N-Butylaniline
CID 14310
1-(2-Fluorophenyl)piperazine
CID 70529

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 62554048) is N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine is CCN(CCNCCN(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GVSORVVZMXMBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-4-18(12-10-16-9-11-17(2)3)14-7-5-13(15)6-8-14/h5-8,16H,4,9-12H2,1-3H3.
What are the key properties of N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 253.37 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 62554048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).