1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine

C14H23FN2 — CID 60789812

IUPAC1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine
SMILESCCC(CC)CN(CC)c1cccc(F)c1N
InChIInChI=1S/C14H23FN2/c1-4-11(5-2)10-17(6-3)13-9-7-8-12(15)14(13)16/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyVCVVHQNVZXQLJR-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.67
Rot. Bonds6

About 1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine

1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine (PubChem CID 60789812) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine
PubChem CID60789812
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine
SMILESCCC(CC)CN(CC)c1cccc(F)c1N
InChIInChI=1S/C14H23FN2/c1-4-11(5-2)10-17(6-3)13-9-7-8-12(15)14(13)16/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyVCVVHQNVZXQLJR-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.67
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

3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine
CID 63076761
2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
CID 54986511
1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 60788942
2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 63406140
3-fluoro-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,2-diamine
CID 79483525
2-[ethyl(2-ethylbutyl)amino]benzenecarbothioamide
CID 61437567
3-N,3-N-bis(2-ethylhexyl)benzene-1,2,3-triamine
CID 174302535
6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine
CID 80648336
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile
CID 63510789
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-ethylbutyl)-4-fluoroaniline
CID 63368605
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine (CID 60789812) is 1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine is CCC(CC)CN(CC)c1cccc(F)c1N.
What is the InChIKey of 1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine?
The InChIKey is VCVVHQNVZXQLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-11(5-2)10-17(6-3)13-9-7-8-12(15)14(13)16/h7-9,11H,4-6,10,16H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine?
1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 60789812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).