1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine

C11H15F3N2 — CID 14793680

IUPAC1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCC(C)Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-3-7(2)16-10-5-4-8(15)6-9(10)11(12,13)14/h4-7,16H,3,15H2,1-2H3
InChIKeyZQPOAUJDOWVWBD-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.50
Rot. Bonds3

About 1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine

1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 14793680) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID14793680
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCC(C)Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-3-7(2)16-10-5-4-8(15)6-9(10)11(12,13)14/h4-7,16H,3,15H2,1-2H3
InChIKeyZQPOAUJDOWVWBD-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.50
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-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
2,N-Dimethylaniline
CID 69137
TFMPP hydrochloride
CID 3084246
N-(3-Methylphenyl)benzenemethanamine
CID 222281
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
Benzenamine, N-ethyl-2-methyl-
CID 7201
N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide
CID 16227548
N-Ethyl-p-toluidine
CID 61164

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine (CID 14793680) is 1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine is CCC(C)Nc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is ZQPOAUJDOWVWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-7(2)16-10-5-4-8(15)6-9(10)11(12,13)14/h4-7,16H,3,15H2,1-2H3.
What are the key properties of 1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 232.25 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 14793680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).