4-chloro-3-(ethylamino)phenol

C8H10ClNO — CID 146310841

IUPAC4-chloro-3-(ethylamino)phenol
SMILESCCNc1cc(O)ccc1Cl
InChIInChI=1S/C8H10ClNO/c1-2-10-8-5-6(11)3-4-7(8)9/h3-5,10-11H,2H2,1H3
InChIKeyQIBZFWJGSRJQHM-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.48
Rot. Bonds2

About 4-chloro-3-(ethylamino)phenol

4-chloro-3-(ethylamino)phenol (PubChem CID 146310841) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-chloro-3-(ethylamino)phenol.

Molecular Properties

Compound Name4-chloro-3-(ethylamino)phenol
PubChem CID146310841
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name4-chloro-3-(ethylamino)phenol
SMILESCCNc1cc(O)ccc1Cl
InChIInChI=1S/C8H10ClNO/c1-2-10-8-5-6(11)3-4-7(8)9/h3-5,10-11H,2H2,1H3
InChIKeyQIBZFWJGSRJQHM-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(ethylamino)phenol?
The IUPAC name of 4-chloro-3-(ethylamino)phenol (CID 146310841) is 4-chloro-3-(ethylamino)phenol.
What is the SMILES notation for 4-chloro-3-(ethylamino)phenol?
The canonical SMILES for 4-chloro-3-(ethylamino)phenol is CCNc1cc(O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(ethylamino)phenol?
The InChIKey is QIBZFWJGSRJQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-2-10-8-5-6(11)3-4-7(8)9/h3-5,10-11H,2H2,1H3.
What are the key properties of 4-chloro-3-(ethylamino)phenol?
4-chloro-3-(ethylamino)phenol has a molecular weight of 171.63 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(ethylamino)phenol is sourced from PubChem (CID 146310841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).