4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol

C14H13Cl2NO — CID 25162918

IUPAC4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNCc1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-12-3-1-10(2-4-12)8-17-9-11-7-13(16)5-6-14(11)18/h1-7,17-18H,8-9H2
InChIKeyQGKHVYMOZXHPKW-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.99
Rot. Bonds4

About 4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol

4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol (PubChem CID 25162918) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol
PubChem CID25162918
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNCc1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-12-3-1-10(2-4-12)8-17-9-11-7-13(16)5-6-14(11)18/h1-7,17-18H,8-9H2
InChIKeyQGKHVYMOZXHPKW-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.99
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 4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol (CID 25162918) is 4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol is Oc1ccc(Cl)cc1CNCc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol?
The InChIKey is QGKHVYMOZXHPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-12-3-1-10(2-4-12)8-17-9-11-7-13(16)5-6-14(11)18/h1-7,17-18H,8-9H2.
What are the key properties of 4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol?
4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol has a molecular weight of 282.17 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(4-chlorophenyl)methylamino]methyl]phenol is sourced from PubChem (CID 25162918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).