4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride

C14H14Cl2FNO — CID 25161470

IUPAC4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(Cl)cc1CNCc1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO.ClH/c15-12-3-6-14(18)11(7-12)9-17-8-10-1-4-13(16)5-2-10;/h1-7,17-18H,8-9H2;1H
InChIKeyVNGNJSKSYGZLFX-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.90
Rot. Bonds4

About 4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride

4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride (PubChem CID 25161470) has the molecular formula C14H14Cl2FNO and a molecular weight of 302.18 g/mol. Its IUPAC name is 4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride
PubChem CID25161470
Molecular FormulaC14H14Cl2FNO
Molecular Weight302.18 g/mol
Exact Mass301.04
IUPAC Name4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(Cl)cc1CNCc1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO.ClH/c15-12-3-6-14(18)11(7-12)9-17-8-10-1-4-13(16)5-2-10;/h1-7,17-18H,8-9H2;1H
InChIKeyVNGNJSKSYGZLFX-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.90
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-fluorophenyl)methylamino]methyl]phenol;hydrochloride?
The IUPAC name of 4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride (CID 25161470) is 4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride.
What is the SMILES notation for 4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride?
The canonical SMILES for 4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride is Cl.Oc1ccc(Cl)cc1CNCc1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride?
The InChIKey is VNGNJSKSYGZLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO.ClH/c15-12-3-6-14(18)11(7-12)9-17-8-10-1-4-13(16)5-2-10;/h1-7,17-18H,8-9H2;1H.
What are the key properties of 4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride?
4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride has a molecular weight of 302.18 g/mol, XLogP of 3.90, 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-fluorophenyl)methylamino]methyl]phenol;hydrochloride is sourced from PubChem (CID 25161470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).