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

C14H13F3N2 — CID 117027255

IUPAC1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
SMILESCNc1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H13F3N2/c1-18-11-5-7-12(8-6-11)19-13-4-2-3-10(9-13)14(15,16)17/h2-9,18-19H,1H3
InChIKeyKHVCTINRQHERRS-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.49
Rot. Bonds3

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

1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine (PubChem CID 117027255) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
PubChem CID117027255
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
SMILESCNc1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H13F3N2/c1-18-11-5-7-12(8-6-11)19-13-4-2-3-10(9-13)14(15,16)17/h2-9,18-19H,1H3
InChIKeyKHVCTINRQHERRS-UHFFFAOYSA-N
XLogP4.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(trifluoromethyl)anilino]phenyl]urea
CID 90643997
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
CID 142703833
2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile
CID 81278129
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736431
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
CID 122513645
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
3-tert-butyl-N-phenylaniline
CID 19803090
3-tert-butyl-N-(4-methylphenyl)aniline
CID 166638036
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine (CID 117027255) is 1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine is CNc1ccc(Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The InChIKey is KHVCTINRQHERRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-18-11-5-7-12(8-6-11)19-13-4-2-3-10(9-13)14(15,16)17/h2-9,18-19H,1H3.
What are the key properties of 1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine?
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine has a molecular weight of 266.27 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 117027255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).