2,2,2-triphenylethanamine;hydrochloride

C20H20ClN — CID 3033278

IUPAC2,2,2-triphenylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N.ClH/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16,21H2;1H
InChIKeyKMMSETXZKYJCRN-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.40
Rot. Bonds4

About 2,2,2-triphenylethanamine;hydrochloride

2,2,2-triphenylethanamine;hydrochloride (PubChem CID 3033278) has the molecular formula C20H20ClN and a molecular weight of 309.84 g/mol. Its IUPAC name is 2,2,2-triphenylethanamine;hydrochloride.

Molecular Properties

Compound Name2,2,2-triphenylethanamine;hydrochloride
PubChem CID3033278
Molecular FormulaC20H20ClN
Molecular Weight309.84 g/mol
Exact Mass309.13
IUPAC Name2,2,2-triphenylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N.ClH/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16,21H2;1H
InChIKeyKMMSETXZKYJCRN-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.40
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 2,2,2-triphenylethanamine;hydrochloride?
The IUPAC name of 2,2,2-triphenylethanamine;hydrochloride (CID 3033278) is 2,2,2-triphenylethanamine;hydrochloride.
What is the SMILES notation for 2,2,2-triphenylethanamine;hydrochloride?
The canonical SMILES for 2,2,2-triphenylethanamine;hydrochloride is Cl.NCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,2-triphenylethanamine;hydrochloride?
The InChIKey is KMMSETXZKYJCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N.ClH/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16,21H2;1H.
What are the key properties of 2,2,2-triphenylethanamine;hydrochloride?
2,2,2-triphenylethanamine;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-triphenylethanamine;hydrochloride is sourced from PubChem (CID 3033278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).