2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine

C13H21FN2 — CID 79477918

IUPAC2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
SMILESCCC(C)CN(CC)c1cc(F)ccc1N
InChIInChI=1S/C13H21FN2/c1-4-10(3)9-16(5-2)13-8-11(14)6-7-12(13)15/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyGUYCCPVBVWJVPL-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.28
Rot. Bonds5

About 2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine

2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine (PubChem CID 79477918) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
PubChem CID79477918
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
SMILESCCC(C)CN(CC)c1cc(F)ccc1N
InChIInChI=1S/C13H21FN2/c1-4-10(3)9-16(5-2)13-8-11(14)6-7-12(13)15/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyGUYCCPVBVWJVPL-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.28
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,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
4-bromo-2-N-ethyl-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477416
2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde
CID 79477155
N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline
CID 22638194
2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
CID 102991223
3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile
CID 62377139
2-[(tert-butylamino)methyl]-N-ethyl-4-fluoro-N-(2-methylbutyl)aniline
CID 79480861
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 79478202
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
2-bromo-1-N-ethyl-5-methyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 114048289
5-N-ethyl-2-methyl-5-N-(2-methylbutyl)-1,3-benzothiazole-5,6-diamine
CID 79476836

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine (CID 79477918) is 2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine is CCC(C)CN(CC)c1cc(F)ccc1N.
What is the InChIKey of 2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine?
The InChIKey is GUYCCPVBVWJVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-10(3)9-16(5-2)13-8-11(14)6-7-12(13)15/h6-8,10H,4-5,9,15H2,1-3H3.
What are the key properties of 2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine?
2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine is sourced from PubChem (CID 79477918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).