N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride

C20H28ClN — CID 23479

IUPACN-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride
SMILESCC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C.Cl
InChIInChI=1S/C20H27N.ClH/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,16,19,21H,15H2,1-4H3;1H
InChIKeyRNGHAJVBYQPLAZ-UHFFFAOYSA-N
MW317.90 g/mol
LogP5.41
Rot. Bonds5

About N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride

N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride (PubChem CID 23479) has the molecular formula C20H28ClN and a molecular weight of 317.90 g/mol. Its IUPAC name is N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride
PubChem CID23479
Molecular FormulaC20H28ClN
Molecular Weight317.90 g/mol
Exact Mass317.19
IUPAC NameN-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride
SMILESCC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C.Cl
InChIInChI=1S/C20H27N.ClH/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,16,19,21H,15H2,1-4H3;1H
InChIKeyRNGHAJVBYQPLAZ-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.90
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride?
The IUPAC name of N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride (CID 23479) is N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride.
What is the SMILES notation for N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride?
The canonical SMILES for N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride is CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C.Cl.
What is the InChIKey of N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride?
The InChIKey is RNGHAJVBYQPLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N.ClH/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,16,19,21H,15H2,1-4H3;1H.
What are the key properties of N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride?
N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride has a molecular weight of 317.90 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride is sourced from PubChem (CID 23479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).