2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine

C11H16F2N2 — CID 62531626

IUPAC2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CC)c1c(N)ccc(F)c1F
InChIInChI=1S/C11H16F2N2/c1-3-7-15(4-2)11-9(14)6-5-8(12)10(11)13/h5-6H,3-4,7,14H2,1-2H3
InChIKeyJRZHBQCFMDZUGS-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.78
Rot. Bonds4

About 2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine

2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine (PubChem CID 62531626) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine
PubChem CID62531626
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CC)c1c(N)ccc(F)c1F
InChIInChI=1S/C11H16F2N2/c1-3-7-15(4-2)11-9(14)6-5-8(12)10(11)13/h5-6H,3-4,7,14H2,1-2H3
InChIKeyJRZHBQCFMDZUGS-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.78
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-3,4-difluorobenzene-1,2-diamine
CID 102991239
3-(6-amino-N-ethyl-2,3-difluoroanilino)propanenitrile
CID 62532506
3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 62531981
3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine
CID 62533650
2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine
CID 62533529
2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 62532833
2-N-(2-ethoxyethyl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
CID 81059459
4-(chloromethyl)-N-ethyl-2,6-difluoro-N-propylaniline
CID 63077412
3-[6-amino-2,3-difluoro-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285147
2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide
CID 62533871
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
CID 79773079

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine (CID 62531626) is 2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine is CCCN(CC)c1c(N)ccc(F)c1F.
What is the InChIKey of 2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine?
The InChIKey is JRZHBQCFMDZUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-3-7-15(4-2)11-9(14)6-5-8(12)10(11)13/h5-6H,3-4,7,14H2,1-2H3.
What are the key properties of 2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine?
2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine has a molecular weight of 214.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 62531626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).