4-chlorophenol;ethanamine;ethane

C10H18ClNO — CID 171488905

IUPAC4-chlorophenol;ethanamine;ethane
SMILESCC.CCN.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C2H7N.C2H6/c7-5-1-3-6(8)4-2-5;1-2-3;1-2/h1-4,8H;2-3H2,1H3;1-2H3
InChIKeyPJJPOPZCRTZJGF-UHFFFAOYSA-N
MW203.71 g/mol
LogP3.04
Rot. Bonds

About 4-chlorophenol;ethanamine;ethane

4-chlorophenol;ethanamine;ethane (PubChem CID 171488905) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-chlorophenol;ethanamine;ethane.

Molecular Properties

Compound Name4-chlorophenol;ethanamine;ethane
PubChem CID171488905
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-chlorophenol;ethanamine;ethane
SMILESCC.CCN.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C2H7N.C2H6/c7-5-1-3-6(8)4-2-5;1-2-3;1-2/h1-4,8H;2-3H2,1H3;1-2H3
InChIKeyPJJPOPZCRTZJGF-UHFFFAOYSA-N
XLogP3.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chlorophenol;ethanamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol;ethanamine;ethane?
The IUPAC name of 4-chlorophenol;ethanamine;ethane (CID 171488905) is 4-chlorophenol;ethanamine;ethane.
What is the SMILES notation for 4-chlorophenol;ethanamine;ethane?
The canonical SMILES for 4-chlorophenol;ethanamine;ethane is CC.CCN.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;ethanamine;ethane?
The InChIKey is PJJPOPZCRTZJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.C2H7N.C2H6/c7-5-1-3-6(8)4-2-5;1-2-3;1-2/h1-4,8H;2-3H2,1H3;1-2H3.
What are the key properties of 4-chlorophenol;ethanamine;ethane?
4-chlorophenol;ethanamine;ethane has a molecular weight of 203.71 g/mol, XLogP of 3.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;ethanamine;ethane is sourced from PubChem (CID 171488905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).