2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine

C15H26FN3 — CID 102991223

IUPAC2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
SMILESCCN(CC)CCCN(CC)c1cc(F)ccc1N
InChIInChI=1S/C15H26FN3/c1-4-18(5-2)10-7-11-19(6-3)15-12-13(16)8-9-14(15)17/h8-9,12H,4-7,10-11,17H2,1-3H3
InChIKeyLMXKNDXCIBEFRZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.97
Rot. Bonds8

About 2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine

2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine (PubChem CID 102991223) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
PubChem CID102991223
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
SMILESCCN(CC)CCCN(CC)c1cc(F)ccc1N
InChIInChI=1S/C15H26FN3/c1-4-18(5-2)10-7-11-19(6-3)15-12-13(16)8-9-14(15)17/h8-9,12H,4-7,10-11,17H2,1-3H3
InChIKeyLMXKNDXCIBEFRZ-UHFFFAOYSA-N
XLogP2.97
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile
CID 62377139
4-bromo-1-N-[3-(diethylamino)propyl]-1-N-ethyl-5-fluorobenzene-1,2-diamine
CID 102991268
2-(2-amino-N-butyl-5-fluoroanilino)ethanol
CID 62377304
N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995296
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 102991239
2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477918
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine
CID 102991274
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine
CID 62378190
4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991287
4-chloro-2-N-[3-(dimethylamino)propyl]-2-N-ethylbenzene-1,2-diamine
CID 102991096

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine (CID 102991223) is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine is CCN(CC)CCCN(CC)c1cc(F)ccc1N.
What is the InChIKey of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine?
The InChIKey is LMXKNDXCIBEFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-4-18(5-2)10-7-11-19(6-3)15-12-13(16)8-9-14(15)17/h8-9,12H,4-7,10-11,17H2,1-3H3.
What are the key properties of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine?
2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine has a molecular weight of 267.39 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 102991223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).