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

C16H23F3N2 — CID 63406082

IUPAC1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCCC(Nc1ccc(C(F)(F)F)cc1N)C1CCCCC1
InChIInChI=1S/C16H23F3N2/c1-2-14(11-6-4-3-5-7-11)21-15-9-8-12(10-13(15)20)16(17,18)19/h8-11,14,21H,2-7,20H2,1H3
InChIKeyBLIHRKOWZVSFKM-UHFFFAOYSA-N
MW300.37 g/mol
LogP5.06
Rot. Bonds4

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

1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 63406082) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID63406082
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCCC(Nc1ccc(C(F)(F)F)cc1N)C1CCCCC1
InChIInChI=1S/C16H23F3N2/c1-2-14(11-6-4-3-5-7-11)21-15-9-8-12(10-13(15)20)16(17,18)19/h8-11,14,21H,2-7,20H2,1H3
InChIKeyBLIHRKOWZVSFKM-UHFFFAOYSA-N
XLogP5.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.37
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 63406082) is 1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine is CCC(Nc1ccc(C(F)(F)F)cc1N)C1CCCCC1.
What is the InChIKey of 1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is BLIHRKOWZVSFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-2-14(11-6-4-3-5-7-11)21-15-9-8-12(10-13(15)20)16(17,18)19/h8-11,14,21H,2-7,20H2,1H3.
What are the key properties of 1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 300.37 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 63406082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).