(1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride

C9H14ClNO — CID 6433169

IUPAC(1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride
SMILESC[C@@H](N)[C@@H](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/t7-,9-;/m1./s1
InChIKeyDYWNLSQWJMTVGJ-PRCZDLBKSA-N
MW187.67 g/mol
LogP1.49
Rot. Bonds2

About (1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride

(1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride (PubChem CID 6433169) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride
PubChem CID6433169
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name(1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride
SMILESC[C@@H](N)[C@@H](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/t7-,9-;/m1./s1
InChIKeyDYWNLSQWJMTVGJ-PRCZDLBKSA-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 (1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride (CID 6433169) is (1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride is C[C@@H](N)[C@@H](O)c1ccccc1.Cl.
What is the InChIKey of (1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is DYWNLSQWJMTVGJ-PRCZDLBKSA-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/t7-,9-;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride?
(1S,2R)-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 (1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 6433169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).