2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine

C10H15FN2 — CID 62376405

IUPAC2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
SMILESCCN(CC)c1cc(F)ccc1N
InChIInChI=1S/C10H15FN2/c1-3-13(4-2)10-7-8(11)5-6-9(10)12/h5-7H,3-4,12H2,1-2H3
InChIKeyNSGUHKMKYZUACZ-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.25
Rot. Bonds3

About 2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine

2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine (PubChem CID 62376405) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
PubChem CID62376405
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
SMILESCCN(CC)c1cc(F)ccc1N
InChIInChI=1S/C10H15FN2/c1-3-13(4-2)10-7-8(11)5-6-9(10)12/h5-7H,3-4,12H2,1-2H3
InChIKeyNSGUHKMKYZUACZ-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
CID 102991223
2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477918
3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile
CID 62377139
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine
CID 62378190
2-(2-amino-N-butyl-5-fluoroanilino)ethanol
CID 62377304
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine
CID 169488588
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657072
2-[amino(ethyl)amino]-5-fluoroaniline
CID 134239399
4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 62378502

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine (CID 62376405) is 2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine is CCN(CC)c1cc(F)ccc1N.
What is the InChIKey of 2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine?
The InChIKey is NSGUHKMKYZUACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-3-13(4-2)10-7-8(11)5-6-9(10)12/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine?
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine has a molecular weight of 182.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 62376405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).