2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine

C8H9F3N2 — CID 11506603

IUPAC2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCNc1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C8H9F3N2/c1-13-7-4-5(8(9,10)11)2-3-6(7)12/h2-4,13H,12H2,1H3
InChIKeyRVLXXVBCYMNEID-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.33
Rot. Bonds1

About 2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine

2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 11506603) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID11506603
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCNc1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C8H9F3N2/c1-13-7-4-5(8(9,10)11)2-3-6(7)12/h2-4,13H,12H2,1H3
InChIKeyRVLXXVBCYMNEID-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-nitro-5-(trifluoromethyl)aniline;2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 164983746
2-methoxy-N-methyl-5-(trifluoromethyl)aniline
CID 21307264
4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106
N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 110481380
2-amino-N-[2-amino-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 110481478
[2-amino-5-(trifluoromethyl)phenyl]boronic acid
CID 68785619
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2-N-[[4-(dimethylamino)phenyl]methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 139917499
2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine
CID 150115790
4-amino-3-[2-methyl-5-(trifluoromethyl)anilino]benzonitrile
CID 104712103
4-bromo-2-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 65342953
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine (CID 11506603) is 2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine is CNc1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is RVLXXVBCYMNEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-13-7-4-5(8(9,10)11)2-3-6(7)12/h2-4,13H,12H2,1H3.
What are the key properties of 2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine?
2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 190.17 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 11506603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).