4-(2-aminoethyl)-2-chlorophenol

C8H10ClNO — CID 23071555

IUPAC4-(2-aminoethyl)-2-chlorophenol
SMILESNCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H10ClNO/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,11H,3-4,10H2
InChIKeyVATRCWZBGYJZOX-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.55
Rot. Bonds2

About 4-(2-aminoethyl)-2-chlorophenol

4-(2-aminoethyl)-2-chlorophenol (PubChem CID 23071555) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chlorophenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chlorophenol
PubChem CID23071555
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name4-(2-aminoethyl)-2-chlorophenol
SMILESNCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H10ClNO/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,11H,3-4,10H2
InChIKeyVATRCWZBGYJZOX-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chlorophenol?
The IUPAC name of 4-(2-aminoethyl)-2-chlorophenol (CID 23071555) is 4-(2-aminoethyl)-2-chlorophenol.
What is the SMILES notation for 4-(2-aminoethyl)-2-chlorophenol?
The canonical SMILES for 4-(2-aminoethyl)-2-chlorophenol is NCCc1ccc(O)c(Cl)c1.
What is the InChIKey of 4-(2-aminoethyl)-2-chlorophenol?
The InChIKey is VATRCWZBGYJZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,11H,3-4,10H2.
What are the key properties of 4-(2-aminoethyl)-2-chlorophenol?
4-(2-aminoethyl)-2-chlorophenol has a molecular weight of 171.63 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chlorophenol is sourced from PubChem (CID 23071555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).