N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride

C22H22Cl2FNO — CID 17292514

IUPACN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
SMILESCl.Fc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClFNO.ClH/c23-20-9-5-18(6-10-20)16-26-22-4-2-1-3-19(22)15-25-14-13-17-7-11-21(24)12-8-17;/h1-12,25H,13-16H2;1H
InChIKeyZRAXLXAXVHKBFV-UHFFFAOYSA-N
MW406.33 g/mol
LogP5.81
Rot. Bonds8

About N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride (PubChem CID 17292514) has the molecular formula C22H22Cl2FNO and a molecular weight of 406.33 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
PubChem CID17292514
Molecular FormulaC22H22Cl2FNO
Molecular Weight406.33 g/mol
Exact Mass405.11
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
SMILESCl.Fc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClFNO.ClH/c23-20-9-5-18(6-10-20)16-26-22-4-2-1-3-19(22)15-25-14-13-17-7-11-21(24)12-8-17;/h1-12,25H,13-16H2;1H
InChIKeyZRAXLXAXVHKBFV-UHFFFAOYSA-N
XLogP5.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208380
2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4718343
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 17208464
N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
CID 171151385
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720041
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 66534407
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
2-[3-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214027

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride (CID 17292514) is N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride is Cl.Fc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is ZRAXLXAXVHKBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFNO.ClH/c23-20-9-5-18(6-10-20)16-26-22-4-2-1-3-19(22)15-25-14-13-17-7-11-21(24)12-8-17;/h1-12,25H,13-16H2;1H.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 406.33 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 17292514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).