3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine

C11H15F3N2 — CID 150498422

IUPAC3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCc1cc(N)c(C(F)(F)F)c(CC)c1N
InChIInChI=1S/C11H15F3N2/c1-3-6-5-8(15)9(11(12,13)14)7(4-2)10(6)16/h5H,3-4,15-16H2,1-2H3
InChIKeyHXHDQJUHULPYBC-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.99
Rot. Bonds2

About 3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine

3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 150498422) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID150498422
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCc1cc(N)c(C(F)(F)F)c(CC)c1N
InChIInChI=1S/C11H15F3N2/c1-3-6-5-8(15)9(11(12,13)14)7(4-2)10(6)16/h5H,3-4,15-16H2,1-2H3
InChIKeyHXHDQJUHULPYBC-UHFFFAOYSA-N
XLogP2.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.99
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

3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline
CID 167292102
5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline
CID 177009324
2,4-diamino-3,5-diethylbenzenethiol
CID 150249754
4-amino-2-ethyl-3-(trifluoromethyl)benzamide
CID 174774948
4-amino-2-ethyl-3-(trifluoromethyl)benzamide;hydrochloride
CID 174774947
4-ethyl-2-fluoro-3-(trifluoromethyl)aniline;hydrochloride
CID 68821424
2-amino-3-ethyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzenethiol
CID 152616841
2,3,6-triethylaniline
CID 21412862
2-amino-3,4,5-triethylbenzenethiol
CID 134347256
2,6-diethylbenzene-1,4-diamine
CID 10154207
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene
CID 19702594

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine (CID 150498422) is 3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine is CCc1cc(N)c(C(F)(F)F)c(CC)c1N.
What is the InChIKey of 3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is HXHDQJUHULPYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-6-5-8(15)9(11(12,13)14)7(4-2)10(6)16/h5H,3-4,15-16H2,1-2H3.
What are the key properties of 3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine?
3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 232.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 150498422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).