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

C15H23F3N2 — CID 63402640

IUPAC4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCCCCN(c1ccc(N)c(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C15H23F3N2/c1-4-5-6-9-20(11(2)3)12-7-8-14(19)13(10-12)15(16,17)18/h7-8,10-11H,4-6,9,19H2,1-3H3
InChIKeyILMKQIZWWJSZKH-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.69
Rot. Bonds6

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

4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 63402640) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID63402640
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCCCCN(c1ccc(N)c(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C15H23F3N2/c1-4-5-6-9-20(11(2)3)12-7-8-14(19)13(10-12)15(16,17)18/h7-8,10-11H,4-6,9,19H2,1-3H3
InChIKeyILMKQIZWWJSZKH-UHFFFAOYSA-N
XLogP4.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-propan-2-yl-4-N-propyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 43269261
4-[propan-2-yl(propyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 43269752
4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine
CID 115468800
2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
CID 61244638
2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
CID 79604182
4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771413
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 112656935
1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 91134743
1-(4-amino-N-dodecyl-3-methylanilino)propane-1-sulfonic acid
CID 88793085
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

Frequently Asked Questions

What is the IUPAC name of 4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine (CID 63402640) is 4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine is CCCCCN(c1ccc(N)c(C(F)(F)F)c1)C(C)C.
What is the InChIKey of 4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is ILMKQIZWWJSZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-4-5-6-9-20(11(2)3)12-7-8-14(19)13(10-12)15(16,17)18/h7-8,10-11H,4-6,9,19H2,1-3H3.
What are the key properties of 4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 288.36 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 63402640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).