N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride

C22H32ClNO — CID 24847330

IUPACN-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
SMILESCC(C)N(CCOCC(c1ccccc1)c1ccccc1)C(C)C.Cl
InChIInChI=1S/C22H31NO.ClH/c1-18(2)23(19(3)4)15-16-24-17-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;/h5-14,18-19,22H,15-17H2,1-4H3;1H
InChIKeyXZPQMJFKYIZHBX-UHFFFAOYSA-N
MW361.96 g/mol
LogP5.38
Rot. Bonds9

About N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride

N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride (PubChem CID 24847330) has the molecular formula C22H32ClNO and a molecular weight of 361.96 g/mol. Its IUPAC name is N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
PubChem CID24847330
Molecular FormulaC22H32ClNO
Molecular Weight361.96 g/mol
Exact Mass361.22
IUPAC NameN-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
SMILESCC(C)N(CCOCC(c1ccccc1)c1ccccc1)C(C)C.Cl
InChIInChI=1S/C22H31NO.ClH/c1-18(2)23(19(3)4)15-16-24-17-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;/h5-14,18-19,22H,15-17H2,1-4H3;1H
InChIKeyXZPQMJFKYIZHBX-UHFFFAOYSA-N
XLogP5.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.96
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride?
The IUPAC name of N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride (CID 24847330) is N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride is CC(C)N(CCOCC(c1ccccc1)c1ccccc1)C(C)C.Cl.
What is the InChIKey of N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride?
The InChIKey is XZPQMJFKYIZHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO.ClH/c1-18(2)23(19(3)4)15-16-24-17-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;/h5-14,18-19,22H,15-17H2,1-4H3;1H.
What are the key properties of N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride?
N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride has a molecular weight of 361.96 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-diphenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride is sourced from PubChem (CID 24847330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).