1-amino-3-phenoxypropan-2-ol;hydrochloride

C9H14ClNO2 — CID 2725072

IUPAC1-amino-3-phenoxypropan-2-ol;hydrochloride
SMILESCl.NCC(O)COc1ccccc1
InChIInChI=1S/C9H13NO2.ClH/c10-6-8(11)7-12-9-4-2-1-3-5-9;/h1-5,8,11H,6-7,10H2;1H
InChIKeyDLPNVEWPVBNLHE-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.81
Rot. Bonds4

About 1-amino-3-phenoxypropan-2-ol;hydrochloride

1-amino-3-phenoxypropan-2-ol;hydrochloride (PubChem CID 2725072) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 1-amino-3-phenoxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-3-phenoxypropan-2-ol;hydrochloride
PubChem CID2725072
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name1-amino-3-phenoxypropan-2-ol;hydrochloride
SMILESCl.NCC(O)COc1ccccc1
InChIInChI=1S/C9H13NO2.ClH/c10-6-8(11)7-12-9-4-2-1-3-5-9;/h1-5,8,11H,6-7,10H2;1H
InChIKeyDLPNVEWPVBNLHE-UHFFFAOYSA-N
XLogP0.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenoxypropan-2-ol;hydrochloride?
The IUPAC name of 1-amino-3-phenoxypropan-2-ol;hydrochloride (CID 2725072) is 1-amino-3-phenoxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-3-phenoxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-3-phenoxypropan-2-ol;hydrochloride is Cl.NCC(O)COc1ccccc1.
What is the InChIKey of 1-amino-3-phenoxypropan-2-ol;hydrochloride?
The InChIKey is DLPNVEWPVBNLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c10-6-8(11)7-12-9-4-2-1-3-5-9;/h1-5,8,11H,6-7,10H2;1H.
What are the key properties of 1-amino-3-phenoxypropan-2-ol;hydrochloride?
1-amino-3-phenoxypropan-2-ol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenoxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2725072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).