3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride

C16H20ClNO — CID 12549051

IUPAC3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride
SMILESCNCC(O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-17-12-15(18)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15-18H,12H2,1H3;1H
InChIKeyWKEOHGVHWATYEQ-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.82
Rot. Bonds5

About 3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride

3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride (PubChem CID 12549051) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride
PubChem CID12549051
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride
SMILESCNCC(O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-17-12-15(18)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15-18H,12H2,1H3;1H
InChIKeyWKEOHGVHWATYEQ-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride?
The IUPAC name of 3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride (CID 12549051) is 3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride.
What is the SMILES notation for 3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride?
The canonical SMILES for 3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride is CNCC(O)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride?
The InChIKey is WKEOHGVHWATYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-17-12-15(18)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15-18H,12H2,1H3;1H.
What are the key properties of 3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride?
3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1,1-diphenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 12549051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).