2-amino-1-phenylpropan-1-ol;hydrochloride

C9H14ClNO — CID 9065

IUPAC2-amino-1-phenylpropan-1-ol;hydrochloride
SMILESCC(N)C(O)c1ccccc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H
InChIKeyDYWNLSQWJMTVGJ-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.49
Rot. Bonds2

About 2-amino-1-phenylpropan-1-ol;hydrochloride

2-amino-1-phenylpropan-1-ol;hydrochloride (PubChem CID 9065) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-amino-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-phenylpropan-1-ol;hydrochloride
PubChem CID9065
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name2-amino-1-phenylpropan-1-ol;hydrochloride
SMILESCC(N)C(O)c1ccccc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H
InChIKeyDYWNLSQWJMTVGJ-UHFFFAOYSA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-amino-1-phenylpropan-1-ol;hydrochloride (CID 9065) is 2-amino-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-1-phenylpropan-1-ol;hydrochloride is CC(N)C(O)c1ccccc1.Cl.
What is the InChIKey of 2-amino-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is DYWNLSQWJMTVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H.
What are the key properties of 2-amino-1-phenylpropan-1-ol;hydrochloride?
2-amino-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 9065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).