4-(1-aminoethyl)phenol;hydrochloride

C8H12ClNO — CID 22058928

IUPAC4-(1-aminoethyl)phenol;hydrochloride
SMILESCC(N)c1ccc(O)cc1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-6(9)7-2-4-8(10)5-3-7;/h2-6,10H,9H2,1H3;1H
InChIKeyHNDFWZASJWHBCZ-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.83
Rot. Bonds1

About 4-(1-aminoethyl)phenol;hydrochloride

4-(1-aminoethyl)phenol;hydrochloride (PubChem CID 22058928) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 4-(1-aminoethyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(1-aminoethyl)phenol;hydrochloride
PubChem CID22058928
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name4-(1-aminoethyl)phenol;hydrochloride
SMILESCC(N)c1ccc(O)cc1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-6(9)7-2-4-8(10)5-3-7;/h2-6,10H,9H2,1H3;1H
InChIKeyHNDFWZASJWHBCZ-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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)phenol;hydrochloride?
The IUPAC name of 4-(1-aminoethyl)phenol;hydrochloride (CID 22058928) is 4-(1-aminoethyl)phenol;hydrochloride.
What is the SMILES notation for 4-(1-aminoethyl)phenol;hydrochloride?
The canonical SMILES for 4-(1-aminoethyl)phenol;hydrochloride is CC(N)c1ccc(O)cc1.Cl.
What is the InChIKey of 4-(1-aminoethyl)phenol;hydrochloride?
The InChIKey is HNDFWZASJWHBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c1-6(9)7-2-4-8(10)5-3-7;/h2-6,10H,9H2,1H3;1H.
What are the key properties of 4-(1-aminoethyl)phenol;hydrochloride?
4-(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 4-(1-aminoethyl)phenol;hydrochloride is sourced from PubChem (CID 22058928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).