4-(4-aminophenyl)-2-butyl-3-phenylaniline

C22H24N2 — CID 174875610

IUPAC4-(4-aminophenyl)-2-butyl-3-phenylaniline
SMILESCCCCc1c(N)ccc(-c2ccc(N)cc2)c1-c1ccccc1
InChIInChI=1S/C22H24N2/c1-2-3-9-20-21(24)15-14-19(16-10-12-18(23)13-11-16)22(20)17-7-5-4-6-8-17/h4-8,10-15H,2-3,9,23-24H2,1H3
InChIKeyDXSGIZBJXDSODG-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.53
Rot. Bonds5

About 4-(4-aminophenyl)-2-butyl-3-phenylaniline

4-(4-aminophenyl)-2-butyl-3-phenylaniline (PubChem CID 174875610) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-butyl-3-phenylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-butyl-3-phenylaniline
PubChem CID174875610
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-(4-aminophenyl)-2-butyl-3-phenylaniline
SMILESCCCCc1c(N)ccc(-c2ccc(N)cc2)c1-c1ccccc1
InChIInChI=1S/C22H24N2/c1-2-3-9-20-21(24)15-14-19(16-10-12-18(23)13-11-16)22(20)17-7-5-4-6-8-17/h4-8,10-15H,2-3,9,23-24H2,1H3
InChIKeyDXSGIZBJXDSODG-UHFFFAOYSA-N
XLogP5.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-butyl-3-phenylaniline?
The IUPAC name of 4-(4-aminophenyl)-2-butyl-3-phenylaniline (CID 174875610) is 4-(4-aminophenyl)-2-butyl-3-phenylaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2-butyl-3-phenylaniline?
The canonical SMILES for 4-(4-aminophenyl)-2-butyl-3-phenylaniline is CCCCc1c(N)ccc(-c2ccc(N)cc2)c1-c1ccccc1.
What is the InChIKey of 4-(4-aminophenyl)-2-butyl-3-phenylaniline?
The InChIKey is DXSGIZBJXDSODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-2-3-9-20-21(24)15-14-19(16-10-12-18(23)13-11-16)22(20)17-7-5-4-6-8-17/h4-8,10-15H,2-3,9,23-24H2,1H3.
What are the key properties of 4-(4-aminophenyl)-2-butyl-3-phenylaniline?
4-(4-aminophenyl)-2-butyl-3-phenylaniline has a molecular weight of 316.45 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-butyl-3-phenylaniline is sourced from PubChem (CID 174875610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).