2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine

C14H13F3N2O — CID 43436320

IUPAC2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine
SMILESCc1cc(Nc2cccc(OC(F)(F)F)c2)ccc1N
InChIInChI=1S/C14H13F3N2O/c1-9-7-11(5-6-13(9)18)19-10-3-2-4-12(8-10)20-14(15,16)17/h2-8,19H,18H2,1H3
InChIKeyGCINZKOCAFOVJS-UHFFFAOYSA-N
MW282.27 g/mol
LogP4.22
Rot. Bonds3

About 2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine

2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine (PubChem CID 43436320) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine
PubChem CID43436320
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine
SMILESCc1cc(Nc2cccc(OC(F)(F)F)c2)ccc1N
InChIInChI=1S/C14H13F3N2O/c1-9-7-11(5-6-13(9)18)19-10-3-2-4-12(8-10)20-14(15,16)17/h2-8,19H,18H2,1H3
InChIKeyGCINZKOCAFOVJS-UHFFFAOYSA-N
XLogP4.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
3-N-[4-(trifluoromethoxy)phenyl]benzene-1,3-diamine
CID 43245746
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
6-bromo-2-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 116796336
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
methanamine;N-[3-(trifluoromethoxy)phenyl]methanethioamide
CID 156795790
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine (CID 43436320) is 2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine is Cc1cc(Nc2cccc(OC(F)(F)F)c2)ccc1N.
What is the InChIKey of 2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine?
The InChIKey is GCINZKOCAFOVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-9-7-11(5-6-13(9)18)19-10-3-2-4-12(8-10)20-14(15,16)17/h2-8,19H,18H2,1H3.
What are the key properties of 2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine?
2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine has a molecular weight of 282.27 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 43436320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).