1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine

C11H17FN2 — CID 43268432

IUPAC1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
SMILESCCCN(CC)c1ccc(F)cc1N
InChIInChI=1S/C11H17FN2/c1-3-7-14(4-2)11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyNGVQCMZOBGCBSE-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.64
Rot. Bonds4

About 1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine

1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine (PubChem CID 43268432) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
PubChem CID43268432
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
SMILESCCCN(CC)c1ccc(F)cc1N
InChIInChI=1S/C11H17FN2/c1-3-7-14(4-2)11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyNGVQCMZOBGCBSE-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.64
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-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
2-[amino(ethyl)amino]-5-fluoroaniline
CID 134239399
2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
CID 43312974
1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587749
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine
CID 62378190
methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine
CID 144540155
1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine
CID 43274256
2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
CID 102991223
N-ethyl-5-fluoro-2-nitro-N-propylaniline
CID 142511621
3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile
CID 62377139

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine (CID 43268432) is 1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine is CCCN(CC)c1ccc(F)cc1N.
What is the InChIKey of 1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine?
The InChIKey is NGVQCMZOBGCBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-7-14(4-2)11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7,13H2,1-2H3.
What are the key properties of 1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine?
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 43268432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).