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

C14H27FN2 — CID 170720348

IUPAC1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane
SMILESCC.CC.CCN(CC)c1ccc(N)cc1F
InChIInChI=1S/C10H15FN2.2C2H6/c1-3-13(4-2)10-6-5-8(12)7-9(10)11;2*1-2/h5-7H,3-4,12H2,1-2H3;2*1-2H3
InChIKeyOPWXWNBPDBDBIX-UHFFFAOYSA-N
MW242.38 g/mol
LogP4.31
Rot. Bonds3

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

1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane (PubChem CID 170720348) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane
PubChem CID170720348
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane
SMILESCC.CC.CCN(CC)c1ccc(N)cc1F
InChIInChI=1S/C10H15FN2.2C2H6/c1-3-13(4-2)10-6-5-8(12)7-9(10)11;2*1-2/h5-7H,3-4,12H2,1-2H3;2*1-2H3
InChIKeyOPWXWNBPDBDBIX-UHFFFAOYSA-N
XLogP4.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethyl-2-fluoroanilino)-N-ethylacetamide
CID 54986995
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine
CID 28972599
2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 60891924
N,N-diethyl-2-fluoro-4-nitroaniline
CID 67995604
3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine
CID 39241461
4-[(N-ethyl-4-methylanilino)methyl]-3-fluoroaniline
CID 64768076
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide
CID 91675984
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
4-(bromomethyl)-N-ethyl-2-fluoro-N-(2-methylpropyl)aniline
CID 107080080
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 55229077

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane?
The IUPAC name of 1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane (CID 170720348) is 1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane.
What is the SMILES notation for 1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane?
The canonical SMILES for 1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane is CC.CC.CCN(CC)c1ccc(N)cc1F.
What is the InChIKey of 1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane?
The InChIKey is OPWXWNBPDBDBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2.2C2H6/c1-3-13(4-2)10-6-5-8(12)7-9(10)11;2*1-2/h5-7H,3-4,12H2,1-2H3;2*1-2H3.
What are the key properties of 1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane?
1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane has a molecular weight of 242.38 g/mol, XLogP of 4.31, 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-2-fluorobenzene-1,4-diamine;ethane is sourced from PubChem (CID 170720348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).