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

C13H19F3N2 — CID 43269261

IUPAC4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCCN(c1ccc(N)c(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C13H19F3N2/c1-4-7-18(9(2)3)10-5-6-12(17)11(8-10)13(14,15)16/h5-6,8-9H,4,7,17H2,1-3H3
InChIKeySNOKLHGRYQSIED-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.91
Rot. Bonds4

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

4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 43269261) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID43269261
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCCN(c1ccc(N)c(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C13H19F3N2/c1-4-7-18(9(2)3)10-5-6-12(17)11(8-10)13(14,15)16/h5-6,8-9H,4,7,17H2,1-3H3
InChIKeySNOKLHGRYQSIED-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402640
4-[propan-2-yl(propyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 43269752
ethyl 2-amino-5-[propan-2-yl(propyl)amino]benzoate
CID 61307358
2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
CID 61244638
1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 91134743
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 112656935
4-[2-methoxyethyl(propan-2-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 82938869
4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide
CID 62154997
3-[4-(bromomethyl)-N-propan-2-yl-3-(trifluoromethyl)anilino]propanenitrile
CID 107081858
2-[4-amino-N-(cyanomethyl)-3-(trifluoromethyl)anilino]acetonitrile
CID 18069953
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
CID 79600602
2-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 62300700

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine (CID 43269261) is 4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine is CCCN(c1ccc(N)c(C(F)(F)F)c1)C(C)C.
What is the InChIKey of 4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is SNOKLHGRYQSIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-4-7-18(9(2)3)10-5-6-12(17)11(8-10)13(14,15)16/h5-6,8-9H,4,7,17H2,1-3H3.
What are the key properties of 4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 260.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 43269261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).