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

C13H19F3N2 — CID 14793681

IUPAC1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCCCCCNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-2-3-4-5-8-18-12-7-6-10(17)9-11(12)13(14,15)16/h6-7,9,18H,2-5,8,17H2,1H3
InChIKeyZTDQYKYGMCIPED-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.28
Rot. Bonds6

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

1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 14793681) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID14793681
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCCCCCNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-2-3-4-5-8-18-12-7-6-10(17)9-11(12)13(14,15)16/h6-7,9,18H,2-5,8,17H2,1H3
InChIKeyZTDQYKYGMCIPED-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.28
H-Bond Donors ≤ 52
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

1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
CID 107843932
1-N-[3-(dimethylamino)propyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935518
1-N-pent-4-enyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 114264599
2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine
CID 115566133
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805
(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 92979789
2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide
CID 106334470
N-decyl-2-fluoro-3-(trifluoromethyl)aniline
CID 151081147
1-N-(2-methyl-2-methylsulfanylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 113478588
1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
CID 106284327
2-(dimethylaminosulfanyl)-1-N-octylbenzene-1,4-diamine
CID 155703052

Frequently Asked Questions

What is the IUPAC name of 1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine (CID 14793681) is 1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine is CCCCCCNc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is ZTDQYKYGMCIPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-2-3-4-5-8-18-12-7-6-10(17)9-11(12)13(14,15)16/h6-7,9,18H,2-5,8,17H2,1H3.
What are the key properties of 1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 260.30 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 14793681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).