2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine

C13H22FN3 — CID 62378190

IUPAC2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CCN(C)C)c1cc(F)ccc1N
InChIInChI=1S/C13H22FN3/c1-4-7-17(9-8-16(2)3)13-10-11(14)5-6-12(13)15/h5-6,10H,4,7-9,15H2,1-3H3
InChIKeyJVTRIGZRXVLORU-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.19
Rot. Bonds6

About 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine (PubChem CID 62378190) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine
PubChem CID62378190
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CCN(C)C)c1cc(F)ccc1N
InChIInChI=1S/C13H22FN3/c1-4-7-17(9-8-16(2)3)13-10-11(14)5-6-12(13)15/h5-6,10H,4,7-9,15H2,1-3H3
InChIKeyJVTRIGZRXVLORU-UHFFFAOYSA-N
XLogP2.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
N'-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63368901
2-(2-amino-N-butyl-5-fluoroanilino)ethanol
CID 62377304
4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine
CID 106750685
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-propoxy-1-N-propylbenzene-1,2-diamine
CID 63592798
4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
CID 65341551
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-chloro-4-N-[2-(dimethylamino)ethyl]-5-methyl-4-N-propylbenzene-1,4-diamine
CID 113334302
2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
CID 55226364

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine (CID 62378190) is 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine is CCCN(CCN(C)C)c1cc(F)ccc1N.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine?
The InChIKey is JVTRIGZRXVLORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-4-7-17(9-8-16(2)3)13-10-11(14)5-6-12(13)15/h5-6,10H,4,7-9,15H2,1-3H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine has a molecular weight of 239.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 62378190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).