3-[5-(1-aminoethyl)-2-chlorophenyl]phenol

C14H14ClNO — CID 115046198

IUPAC3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
SMILESCC(N)c1ccc(Cl)c(-c2cccc(O)c2)c1
InChIInChI=1S/C14H14ClNO/c1-9(16)10-5-6-14(15)13(8-10)11-3-2-4-12(17)7-11/h2-9,17H,16H2,1H3
InChIKeyLFAFSVSMYPJEIR-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.73
Rot. Bonds2

About 3-[5-(1-aminoethyl)-2-chlorophenyl]phenol

3-[5-(1-aminoethyl)-2-chlorophenyl]phenol (PubChem CID 115046198) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-[5-(1-aminoethyl)-2-chlorophenyl]phenol.

Molecular Properties

Compound Name3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
PubChem CID115046198
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
SMILESCC(N)c1ccc(Cl)c(-c2cccc(O)c2)c1
InChIInChI=1S/C14H14ClNO/c1-9(16)10-5-6-14(15)13(8-10)11-3-2-4-12(17)7-11/h2-9,17H,16H2,1H3
InChIKeyLFAFSVSMYPJEIR-UHFFFAOYSA-N
XLogP3.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-aminoethyl)-2-chlorophenyl]phenol?
The IUPAC name of 3-[5-(1-aminoethyl)-2-chlorophenyl]phenol (CID 115046198) is 3-[5-(1-aminoethyl)-2-chlorophenyl]phenol.
What is the SMILES notation for 3-[5-(1-aminoethyl)-2-chlorophenyl]phenol?
The canonical SMILES for 3-[5-(1-aminoethyl)-2-chlorophenyl]phenol is CC(N)c1ccc(Cl)c(-c2cccc(O)c2)c1.
What is the InChIKey of 3-[5-(1-aminoethyl)-2-chlorophenyl]phenol?
The InChIKey is LFAFSVSMYPJEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9(16)10-5-6-14(15)13(8-10)11-3-2-4-12(17)7-11/h2-9,17H,16H2,1H3.
What are the key properties of 3-[5-(1-aminoethyl)-2-chlorophenyl]phenol?
3-[5-(1-aminoethyl)-2-chlorophenyl]phenol has a molecular weight of 247.73 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-aminoethyl)-2-chlorophenyl]phenol is sourced from PubChem (CID 115046198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).