2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine

C16H13F3N2 — CID 150115790

IUPAC2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine
SMILESCNc1ccc2cc3ccc(C(F)(F)F)cc3cc2c1N
InChIInChI=1S/C16H13F3N2/c1-21-14-5-3-10-6-9-2-4-12(16(17,18)19)7-11(9)8-13(10)15(14)20/h2-8,21H,20H2,1H3
InChIKeyDYFGESNVUIEZAJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.64
Rot. Bonds1

About 2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine

2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine (PubChem CID 150115790) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine
PubChem CID150115790
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine
SMILESCNc1ccc2cc3ccc(C(F)(F)F)cc3cc2c1N
InChIInChI=1S/C16H13F3N2/c1-21-14-5-3-10-6-9-2-4-12(16(17,18)19)7-11(9)8-13(10)15(14)20/h2-8,21H,20H2,1H3
InChIKeyDYFGESNVUIEZAJ-UHFFFAOYSA-N
XLogP4.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 11506603
3,10-bis(trifluoromethyl)picene
CID 88902241
1-ethyl-7-(trifluoromethyl)anthracene
CID 151657359
10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene
CID 58426666
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2,6-bis(trifluoromethyl)anthracene-1-sulfonic acid
CID 141325858
3,8-bis(trifluoromethyl)benzo[b]xanthen-12-one
CID 135178908
3,9-bis(trifluoromethyl)benzo[b]xanthen-12-one
CID 135179044
2-methoxy-N-methyl-5-(trifluoromethyl)aniline
CID 21307264
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817280
2,6-ditert-butylanthracene
CID 15740416
2,11-bis(trifluoromethyl)picene
CID 88902337

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine?
The IUPAC name of 2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine (CID 150115790) is 2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine?
The canonical SMILES for 2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine is CNc1ccc2cc3ccc(C(F)(F)F)cc3cc2c1N.
What is the InChIKey of 2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine?
The InChIKey is DYFGESNVUIEZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c1-21-14-5-3-10-6-9-2-4-12(16(17,18)19)7-11(9)8-13(10)15(14)20/h2-8,21H,20H2,1H3.
What are the key properties of 2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine?
2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine has a molecular weight of 290.29 g/mol, XLogP of 4.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-7-(trifluoromethyl)anthracene-1,2-diamine is sourced from PubChem (CID 150115790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).