2-amino-2-phenylbutan-1-ol;hydrochloride

C10H16ClNO — CID 50988202

IUPAC2-amino-2-phenylbutan-1-ol;hydrochloride
SMILESCCC(N)(CO)c1ccccc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-10(11,8-12)9-6-4-3-5-7-9;/h3-7,12H,2,8,11H2,1H3;1H
InChIKeyFMRRXTCIVABXDY-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.66
Rot. Bonds3

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

2-amino-2-phenylbutan-1-ol;hydrochloride (PubChem CID 50988202) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-amino-2-phenylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-phenylbutan-1-ol;hydrochloride
PubChem CID50988202
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-amino-2-phenylbutan-1-ol;hydrochloride
SMILESCCC(N)(CO)c1ccccc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-10(11,8-12)9-6-4-3-5-7-9;/h3-7,12H,2,8,11H2,1H3;1H
InChIKeyFMRRXTCIVABXDY-UHFFFAOYSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylbutan-1-ol;hydrochloride?
The IUPAC name of 2-amino-2-phenylbutan-1-ol;hydrochloride (CID 50988202) is 2-amino-2-phenylbutan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-2-phenylbutan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-2-phenylbutan-1-ol;hydrochloride is CCC(N)(CO)c1ccccc1.Cl.
What is the InChIKey of 2-amino-2-phenylbutan-1-ol;hydrochloride?
The InChIKey is FMRRXTCIVABXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-2-10(11,8-12)9-6-4-3-5-7-9;/h3-7,12H,2,8,11H2,1H3;1H.
What are the key properties of 2-amino-2-phenylbutan-1-ol;hydrochloride?
2-amino-2-phenylbutan-1-ol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylbutan-1-ol;hydrochloride is sourced from PubChem (CID 50988202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).