3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride

C22H32ClNO3 — CID 3063262

IUPAC3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride
SMILESCOCCN(CCOC)CC(C)C(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H31NO3.ClH/c1-19(18-23(14-16-25-2)15-17-26-3)22(24,20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-13,19,24H,14-18H2,1-3H3;1H
InChIKeyPAVBTUXCEIGBKV-UHFFFAOYSA-N
MW393.96 g/mol
LogP3.58
Rot. Bonds11

About 3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride

3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride (PubChem CID 3063262) has the molecular formula C22H32ClNO3 and a molecular weight of 393.96 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride
PubChem CID3063262
Molecular FormulaC22H32ClNO3
Molecular Weight393.96 g/mol
Exact Mass393.21
IUPAC Name3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride
SMILESCOCCN(CCOC)CC(C)C(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H31NO3.ClH/c1-19(18-23(14-16-25-2)15-17-26-3)22(24,20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-13,19,24H,14-18H2,1-3H3;1H
InChIKeyPAVBTUXCEIGBKV-UHFFFAOYSA-N
XLogP3.58
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride (CID 3063262) is 3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride is COCCN(CCOC)CC(C)C(O)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride?
The InChIKey is PAVBTUXCEIGBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3.ClH/c1-19(18-23(14-16-25-2)15-17-26-3)22(24,20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-13,19,24H,14-18H2,1-3H3;1H.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride?
3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3063262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).