1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine

C14H12ClF3N2 — CID 66253555

IUPAC1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1cccc(Cl)c1Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2/c1-8-3-2-4-11(15)13(8)20-12-6-5-9(19)7-10(12)14(16,17)18/h2-7,20H,19H2,1H3
InChIKeyBKMMUGDTVVEAFZ-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.99
Rot. Bonds2

About 1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine

1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 66253555) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID66253555
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1cccc(Cl)c1Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2/c1-8-3-2-4-11(15)13(8)20-12-6-5-9(19)7-10(12)14(16,17)18/h2-7,20H,19H2,1H3
InChIKeyBKMMUGDTVVEAFZ-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.99
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

1-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 65468899
3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine
CID 66253174
1-N-(2-chloro-6-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 66253362
1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 60926447
1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63403125
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzene-1,3-diamine
CID 63401990
4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine
CID 115469101
1-N-(2,6-dichlorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65469470
3-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66479323
1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590972
1-N-(2-iodophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402341
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 63402036

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 66253555) is 1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is Cc1cccc(Cl)c1Nc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is BKMMUGDTVVEAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-8-3-2-4-11(15)13(8)20-12-6-5-9(19)7-10(12)14(16,17)18/h2-7,20H,19H2,1H3.
What are the key properties of 1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 300.71 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 66253555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).