2-(1-aminoethyl)phenol;hydrochloride

C8H12ClNO — CID 19748524

IUPAC2-(1-aminoethyl)phenol;hydrochloride
SMILESCC(N)c1ccccc1O.Cl
InChIInChI=1S/C8H11NO.ClH/c1-6(9)7-4-2-3-5-8(7)10;/h2-6,10H,9H2,1H3;1H
InChIKeyJNEJZMDAOOGQQP-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.83
Rot. Bonds1

About 2-(1-aminoethyl)phenol;hydrochloride

2-(1-aminoethyl)phenol;hydrochloride (PubChem CID 19748524) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 2-(1-aminoethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(1-aminoethyl)phenol;hydrochloride
PubChem CID19748524
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name2-(1-aminoethyl)phenol;hydrochloride
SMILESCC(N)c1ccccc1O.Cl
InChIInChI=1S/C8H11NO.ClH/c1-6(9)7-4-2-3-5-8(7)10;/h2-6,10H,9H2,1H3;1H
InChIKeyJNEJZMDAOOGQQP-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)phenol;hydrochloride?
The IUPAC name of 2-(1-aminoethyl)phenol;hydrochloride (CID 19748524) is 2-(1-aminoethyl)phenol;hydrochloride.
What is the SMILES notation for 2-(1-aminoethyl)phenol;hydrochloride?
The canonical SMILES for 2-(1-aminoethyl)phenol;hydrochloride is CC(N)c1ccccc1O.Cl.
What is the InChIKey of 2-(1-aminoethyl)phenol;hydrochloride?
The InChIKey is JNEJZMDAOOGQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c1-6(9)7-4-2-3-5-8(7)10;/h2-6,10H,9H2,1H3;1H.
What are the key properties of 2-(1-aminoethyl)phenol;hydrochloride?
2-(1-aminoethyl)phenol;hydrochloride has a molecular weight of 173.64 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)phenol;hydrochloride is sourced from PubChem (CID 19748524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).