2-(4-hexylphenyl)-2-phenylethanamine

C20H27N — CID 25138857

IUPAC2-(4-hexylphenyl)-2-phenylethanamine
SMILESCCCCCCc1ccc(C(CN)c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-2-3-4-6-9-17-12-14-19(15-13-17)20(16-21)18-10-7-5-8-11-18/h5,7-8,10-15,20H,2-4,6,9,16,21H2,1H3
InChIKeyYLFILDZOXRWMEO-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.90
Rot. Bonds8

About 2-(4-hexylphenyl)-2-phenylethanamine

2-(4-hexylphenyl)-2-phenylethanamine (PubChem CID 25138857) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(4-hexylphenyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-hexylphenyl)-2-phenylethanamine
PubChem CID25138857
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-(4-hexylphenyl)-2-phenylethanamine
SMILESCCCCCCc1ccc(C(CN)c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-2-3-4-6-9-17-12-14-19(15-13-17)20(16-21)18-10-7-5-8-11-18/h5,7-8,10-15,20H,2-4,6,9,16,21H2,1H3
InChIKeyYLFILDZOXRWMEO-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylphenyl)-2-phenylethanamine?
The IUPAC name of 2-(4-hexylphenyl)-2-phenylethanamine (CID 25138857) is 2-(4-hexylphenyl)-2-phenylethanamine.
What is the SMILES notation for 2-(4-hexylphenyl)-2-phenylethanamine?
The canonical SMILES for 2-(4-hexylphenyl)-2-phenylethanamine is CCCCCCc1ccc(C(CN)c2ccccc2)cc1.
What is the InChIKey of 2-(4-hexylphenyl)-2-phenylethanamine?
The InChIKey is YLFILDZOXRWMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-2-3-4-6-9-17-12-14-19(15-13-17)20(16-21)18-10-7-5-8-11-18/h5,7-8,10-15,20H,2-4,6,9,16,21H2,1H3.
What are the key properties of 2-(4-hexylphenyl)-2-phenylethanamine?
2-(4-hexylphenyl)-2-phenylethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylphenyl)-2-phenylethanamine is sourced from PubChem (CID 25138857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).