3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride

C16H20ClNO — CID 90674805

IUPAC3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride
SMILESCC(O)(CN)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-16(18,12-17)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15,18H,12,17H2,1H3;1H
InChIKeyVCYRPXXBAFHCRB-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.95
Rot. Bonds4

About 3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride

3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride (PubChem CID 90674805) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride
PubChem CID90674805
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride
SMILESCC(O)(CN)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-16(18,12-17)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15,18H,12,17H2,1H3;1H
InChIKeyVCYRPXXBAFHCRB-UHFFFAOYSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride?
The IUPAC name of 3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride (CID 90674805) is 3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride is CC(O)(CN)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride?
The InChIKey is VCYRPXXBAFHCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-16(18,12-17)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15,18H,12,17H2,1H3;1H.
What are the key properties of 3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride?
3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 90674805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).