(2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride

C13H22ClNO — CID 45265280

IUPAC(2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride
SMILESCC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-13(2,3)12(15)11(9-14)10-7-5-4-6-8-10;/h4-8,11-12,15H,9,14H2,1-3H3;1H/t11-,12+;/m0./s1
InChIKeyHBOXPGCKZVUQOF-ZVWHLABXSA-N
MW243.78 g/mol
LogP2.56
Rot. Bonds3

About (2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride

(2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride (PubChem CID 45265280) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is (2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride
PubChem CID45265280
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name(2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride
SMILESCC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-13(2,3)12(15)11(9-14)10-7-5-4-6-8-10;/h4-8,11-12,15H,9,14H2,1-3H3;1H/t11-,12+;/m0./s1
InChIKeyHBOXPGCKZVUQOF-ZVWHLABXSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride?
The IUPAC name of (2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride (CID 45265280) is (2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride?
The canonical SMILES for (2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride is CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1.Cl.
What is the InChIKey of (2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride?
The InChIKey is HBOXPGCKZVUQOF-ZVWHLABXSA-N. The full InChI is InChI=1S/C13H21NO.ClH/c1-13(2,3)12(15)11(9-14)10-7-5-4-6-8-10;/h4-8,11-12,15H,9,14H2,1-3H3;1H/t11-,12+;/m0./s1.
What are the key properties of (2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride?
(2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-amino-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride is sourced from PubChem (CID 45265280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).