2-(methylamino)-1-phenylpropan-1-ol;hydrochloride

C10H16ClNO — CID 8648

IUPAC2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
SMILESCNC(C)C(O)c1ccccc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H
InChIKeyBALXUFOVQVENIU-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.75
Rot. Bonds3

About 2-(methylamino)-1-phenylpropan-1-ol;hydrochloride

2-(methylamino)-1-phenylpropan-1-ol;hydrochloride (PubChem CID 8648) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-(methylamino)-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
PubChem CID8648
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
SMILESCNC(C)C(O)c1ccccc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H
InChIKeyBALXUFOVQVENIU-UHFFFAOYSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-(methylamino)-1-phenylpropan-1-ol;hydrochloride (CID 8648) is 2-(methylamino)-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-(methylamino)-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-(methylamino)-1-phenylpropan-1-ol;hydrochloride is CNC(C)C(O)c1ccccc1.Cl.
What is the InChIKey of 2-(methylamino)-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is BALXUFOVQVENIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H.
What are the key properties of 2-(methylamino)-1-phenylpropan-1-ol;hydrochloride?
2-(methylamino)-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 8648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).