4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine

C11H15FN2 — CID 103590813

IUPAC4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
SMILESC=C(C)CNc1cc(C)c(F)cc1N
InChIInChI=1S/C11H15FN2/c1-7(2)6-14-11-4-8(3)9(12)5-10(11)13/h4-5,14H,1,6,13H2,2-3H3
InChIKeyLTIWDNHFEKKLKO-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.70
Rot. Bonds3

About 4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine

4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine (PubChem CID 103590813) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
PubChem CID103590813
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
SMILESC=C(C)CNc1cc(C)c(F)cc1N
InChIInChI=1S/C11H15FN2/c1-7(2)6-14-11-4-8(3)9(12)5-10(11)13/h4-5,14H,1,6,13H2,2-3H3
InChIKeyLTIWDNHFEKKLKO-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
CID 103590481
3-(2-amino-4-fluoro-5-methylanilino)propanamide
CID 103589966
3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol
CID 103590479
4-fluoro-1-N-hexyl-5-methylbenzene-1,2-diamine
CID 103590438
4-fluoro-5-methyl-1-N-(2-methyl-2-methylsulfanylpropyl)benzene-1,2-diamine
CID 103590744
4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
CID 103590041
4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120184
2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide
CID 103589964
3-[2-(2-amino-4-fluoro-5-methylanilino)ethylsulfanyl]propan-1-ol
CID 114171723
4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline
CID 131207199
ethyl 4-(2-amino-4-fluoro-5-methylanilino)butanoate
CID 103590466
1-N-[2-(cyclopropylmethoxy)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 114097592

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine (CID 103590813) is 4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine is C=C(C)CNc1cc(C)c(F)cc1N.
What is the InChIKey of 4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine?
The InChIKey is LTIWDNHFEKKLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-7(2)6-14-11-4-8(3)9(12)5-10(11)13/h4-5,14H,1,6,13H2,2-3H3.
What are the key properties of 4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine?
4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine has a molecular weight of 194.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine is sourced from PubChem (CID 103590813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).