2-[3-(aminomethyl)-4-chlorophenyl]phenol

C13H12ClNO — CID 115039900

IUPAC2-[3-(aminomethyl)-4-chlorophenyl]phenol
SMILESNCc1cc(-c2ccccc2O)ccc1Cl
InChIInChI=1S/C13H12ClNO/c14-12-6-5-9(7-10(12)8-15)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2
InChIKeyHTURRNJBPURMTN-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.17
Rot. Bonds2

About 2-[3-(aminomethyl)-4-chlorophenyl]phenol

2-[3-(aminomethyl)-4-chlorophenyl]phenol (PubChem CID 115039900) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-chlorophenyl]phenol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-chlorophenyl]phenol
PubChem CID115039900
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-[3-(aminomethyl)-4-chlorophenyl]phenol
SMILESNCc1cc(-c2ccccc2O)ccc1Cl
InChIInChI=1S/C13H12ClNO/c14-12-6-5-9(7-10(12)8-15)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2
InChIKeyHTURRNJBPURMTN-UHFFFAOYSA-N
XLogP3.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-chlorophenyl]phenol?
The IUPAC name of 2-[3-(aminomethyl)-4-chlorophenyl]phenol (CID 115039900) is 2-[3-(aminomethyl)-4-chlorophenyl]phenol.
What is the SMILES notation for 2-[3-(aminomethyl)-4-chlorophenyl]phenol?
The canonical SMILES for 2-[3-(aminomethyl)-4-chlorophenyl]phenol is NCc1cc(-c2ccccc2O)ccc1Cl.
What is the InChIKey of 2-[3-(aminomethyl)-4-chlorophenyl]phenol?
The InChIKey is HTURRNJBPURMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-12-6-5-9(7-10(12)8-15)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2.
What are the key properties of 2-[3-(aminomethyl)-4-chlorophenyl]phenol?
2-[3-(aminomethyl)-4-chlorophenyl]phenol has a molecular weight of 233.70 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-chlorophenyl]phenol is sourced from PubChem (CID 115039900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).