2-amino-2-naphthalen-1-ylethanol;hydrochloride

C12H14ClNO — CID 50988651

IUPAC2-amino-2-naphthalen-1-ylethanol;hydrochloride
SMILESCl.NC(CO)c1cccc2ccccc12
InChIInChI=1S/C12H13NO.ClH/c13-12(8-14)11-7-3-5-9-4-1-2-6-10(9)11;/h1-7,12,14H,8,13H2;1H
InChIKeyFVBAFGXQIAHFGZ-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.25
Rot. Bonds2

About 2-amino-2-naphthalen-1-ylethanol;hydrochloride

2-amino-2-naphthalen-1-ylethanol;hydrochloride (PubChem CID 50988651) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-amino-2-naphthalen-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-naphthalen-1-ylethanol;hydrochloride
PubChem CID50988651
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-amino-2-naphthalen-1-ylethanol;hydrochloride
SMILESCl.NC(CO)c1cccc2ccccc12
InChIInChI=1S/C12H13NO.ClH/c13-12(8-14)11-7-3-5-9-4-1-2-6-10(9)11;/h1-7,12,14H,8,13H2;1H
InChIKeyFVBAFGXQIAHFGZ-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-naphthalen-1-ylethanol;hydrochloride?
The IUPAC name of 2-amino-2-naphthalen-1-ylethanol;hydrochloride (CID 50988651) is 2-amino-2-naphthalen-1-ylethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-naphthalen-1-ylethanol;hydrochloride?
The canonical SMILES for 2-amino-2-naphthalen-1-ylethanol;hydrochloride is Cl.NC(CO)c1cccc2ccccc12.
What is the InChIKey of 2-amino-2-naphthalen-1-ylethanol;hydrochloride?
The InChIKey is FVBAFGXQIAHFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.ClH/c13-12(8-14)11-7-3-5-9-4-1-2-6-10(9)11;/h1-7,12,14H,8,13H2;1H.
What are the key properties of 2-amino-2-naphthalen-1-ylethanol;hydrochloride?
2-amino-2-naphthalen-1-ylethanol;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-naphthalen-1-ylethanol;hydrochloride is sourced from PubChem (CID 50988651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).