1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine

C10H15FN2 — CID 39237480

IUPAC1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine
SMILESCCN(CC)c1ccc(F)c(N)c1
InChIInChI=1S/C10H15FN2/c1-3-13(4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4,12H2,1-2H3
InChIKeyXHMUEGXSGREGSC-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.25
Rot. Bonds3

About 1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine

1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine (PubChem CID 39237480) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine
PubChem CID39237480
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine
SMILESCCN(CC)c1ccc(F)c(N)c1
InChIInChI=1S/C10H15FN2/c1-3-13(4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4,12H2,1-2H3
InChIKeyXHMUEGXSGREGSC-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

N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide
CID 39248117
4-N,4-N,2-triethylbenzene-1,4-diamine;hydrochloride
CID 68622660
4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
1-N,1-N-diethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831943
2-amino-4-(diethylamino)benzenesulfonamide
CID 79460140
1-N-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-5-fluorobenzene-1,2,4-triamine
CID 57000895
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethyl-4-fluoroaniline
CID 592416
1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine
CID 59268598
1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
CID 28809952
5-ethyl-2-fluoroaniline
CID 10630567
N-(3-amino-4-fluorophenyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39444309

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine (CID 39237480) is 1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine is CCN(CC)c1ccc(F)c(N)c1.
What is the InChIKey of 1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine?
The InChIKey is XHMUEGXSGREGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-3-13(4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine?
1-N,1-N-diethyl-4-fluorobenzene-1,3-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 1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine is sourced from PubChem (CID 39237480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).