(2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride

C12H19Cl2NO — CID 91663000

IUPAC(2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1)NC[C@@H](C)O.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-9(14-8-10(2)15)7-11-3-5-12(13)6-4-11;/h3-6,9-10,14-15H,7-8H2,1-2H3;1H/t9?,10-;/m1./s1
InChIKeyHVKADNLRUWKITK-FJYJDOHQSA-N
MW264.20 g/mol
LogP2.66
Rot. Bonds5

About (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride

(2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride (PubChem CID 91663000) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride
PubChem CID91663000
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC Name(2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1)NC[C@@H](C)O.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-9(14-8-10(2)15)7-11-3-5-12(13)6-4-11;/h3-6,9-10,14-15H,7-8H2,1-2H3;1H/t9?,10-;/m1./s1
InChIKeyHVKADNLRUWKITK-FJYJDOHQSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride?
The IUPAC name of (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride (CID 91663000) is (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride?
The canonical SMILES for (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride is CC(Cc1ccc(Cl)cc1)NC[C@@H](C)O.Cl.
What is the InChIKey of (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride?
The InChIKey is HVKADNLRUWKITK-FJYJDOHQSA-N. The full InChI is InChI=1S/C12H18ClNO.ClH/c1-9(14-8-10(2)15)7-11-3-5-12(13)6-4-11;/h3-6,9-10,14-15H,7-8H2,1-2H3;1H/t9?,10-;/m1./s1.
What are the key properties of (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride?
(2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride has a molecular weight of 264.20 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 91663000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).