2-[(1R)-1-aminoethyl]-4-chlorophenol

C8H10ClNO — CID 78933019

IUPAC2-[(1R)-1-aminoethyl]-4-chlorophenol
SMILESC[C@@H](N)c1cc(Cl)ccc1O
InChIInChI=1S/C8H10ClNO/c1-5(10)7-4-6(9)2-3-8(7)11/h2-5,11H,10H2,1H3/t5-/m1/s1
InChIKeyIHDFZQZUBQSKDM-RXMQYKEDSA-N
MW171.63 g/mol
LogP2.07
Rot. Bonds1

About 2-[(1R)-1-aminoethyl]-4-chlorophenol

2-[(1R)-1-aminoethyl]-4-chlorophenol (PubChem CID 78933019) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-4-chlorophenol
PubChem CID78933019
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-[(1R)-1-aminoethyl]-4-chlorophenol
SMILESC[C@@H](N)c1cc(Cl)ccc1O
InChIInChI=1S/C8H10ClNO/c1-5(10)7-4-6(9)2-3-8(7)11/h2-5,11H,10H2,1H3/t5-/m1/s1
InChIKeyIHDFZQZUBQSKDM-RXMQYKEDSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.07
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-[(1R)-1-aminoethyl]-4-chlorophenol?
The IUPAC name of 2-[(1R)-1-aminoethyl]-4-chlorophenol (CID 78933019) is 2-[(1R)-1-aminoethyl]-4-chlorophenol.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-4-chlorophenol?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-4-chlorophenol is C[C@@H](N)c1cc(Cl)ccc1O.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-4-chlorophenol?
The InChIKey is IHDFZQZUBQSKDM-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-5(10)7-4-6(9)2-3-8(7)11/h2-5,11H,10H2,1H3/t5-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-4-chlorophenol?
2-[(1R)-1-aminoethyl]-4-chlorophenol has a molecular weight of 171.63 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-4-chlorophenol is sourced from PubChem (CID 78933019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).