4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine

C11H13F3N2 — CID 62399118

IUPAC4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCC1CC1Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2/c1-6-4-10(6)16-7-2-3-9(15)8(5-7)11(12,13)14/h2-3,5-6,10,16H,4,15H2,1H3
InChIKeyNIOYTNYRVNTKAY-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.11
Rot. Bonds2

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

4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 62399118) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID62399118
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCC1CC1Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2/c1-6-4-10(6)16-7-2-3-9(15)8(5-7)11(12,13)14/h2-3,5-6,10,16H,4,15H2,1H3
InChIKeyNIOYTNYRVNTKAY-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 62399118) is 4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine is CC1CC1Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is NIOYTNYRVNTKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-6-4-10(6)16-7-2-3-9(15)8(5-7)11(12,13)14/h2-3,5-6,10,16H,4,15H2,1H3.
What are the key properties of 4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 230.23 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylcyclopropyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 62399118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).