N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride

C20H18Cl2FN — CID 11948819

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClFN.ClH/c21-18-12-7-13-19(22)17(18)14-23-20(15-8-3-1-4-9-15)16-10-5-2-6-11-16;/h1-13,20,23H,14H2;1H
InChIKeyGDDXOVDCNNYUFG-UHFFFAOYSA-N
MW362.28 g/mol
LogP5.78
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride

N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride (PubChem CID 11948819) has the molecular formula C20H18Cl2FN and a molecular weight of 362.28 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride
PubChem CID11948819
Molecular FormulaC20H18Cl2FN
Molecular Weight362.28 g/mol
Exact Mass361.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClFN.ClH/c21-18-12-7-13-19(22)17(18)14-23-20(15-8-3-1-4-9-15)16-10-5-2-6-11-16;/h1-13,20,23H,14H2;1H
InChIKeyGDDXOVDCNNYUFG-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.28
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride (CID 11948819) is N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride is Cl.Fc1cccc(Cl)c1CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride?
The InChIKey is GDDXOVDCNNYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN.ClH/c21-18-12-7-13-19(22)17(18)14-23-20(15-8-3-1-4-9-15)16-10-5-2-6-11-16;/h1-13,20,23H,14H2;1H.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride?
N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride has a molecular weight of 362.28 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1,1-diphenylmethanamine;hydrochloride is sourced from PubChem (CID 11948819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).