4,4,4-triphenylbutan-1-amine

C22H23N — CID 57094730

IUPAC4,4,4-triphenylbutan-1-amine
SMILESNCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,23H2
InChIKeyPVCHAKQXNCGVFU-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.76
Rot. Bonds6

About 4,4,4-triphenylbutan-1-amine

4,4,4-triphenylbutan-1-amine (PubChem CID 57094730) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 4,4,4-triphenylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-triphenylbutan-1-amine
PubChem CID57094730
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name4,4,4-triphenylbutan-1-amine
SMILESNCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,23H2
InChIKeyPVCHAKQXNCGVFU-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-triphenylbutan-1-amine?
The IUPAC name of 4,4,4-triphenylbutan-1-amine (CID 57094730) is 4,4,4-triphenylbutan-1-amine.
What is the SMILES notation for 4,4,4-triphenylbutan-1-amine?
The canonical SMILES for 4,4,4-triphenylbutan-1-amine is NCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4,4-triphenylbutan-1-amine?
The InChIKey is PVCHAKQXNCGVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,23H2.
What are the key properties of 4,4,4-triphenylbutan-1-amine?
4,4,4-triphenylbutan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-triphenylbutan-1-amine is sourced from PubChem (CID 57094730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).