2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine

C22H21ClFNO — CID 17208490

IUPAC2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESFc1ccc(COc2cccc(CNCCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H21ClFNO/c23-20-8-4-17(5-9-20)12-13-25-15-19-2-1-3-22(14-19)26-16-18-6-10-21(24)11-7-18/h1-11,14,25H,12-13,15-16H2
InChIKeyRTQDOMYYBYVLPI-UHFFFAOYSA-N
MW369.87 g/mol
LogP5.39
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine

2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 17208490) has the molecular formula C22H21ClFNO and a molecular weight of 369.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID17208490
Molecular FormulaC22H21ClFNO
Molecular Weight369.87 g/mol
Exact Mass369.13
IUPAC Name2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESFc1ccc(COc2cccc(CNCCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H21ClFNO/c23-20-8-4-17(5-9-20)12-13-25-15-19-2-1-3-22(14-19)26-16-18-6-10-21(24)11-7-18/h1-11,14,25H,12-13,15-16H2
InChIKeyRTQDOMYYBYVLPI-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.39
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-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 17208568
4-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292932
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906
2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17295166
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
2-(4-chlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208437
2-(cyclohexen-1-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17210091
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 4718391

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine (CID 17208490) is 2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine is Fc1ccc(COc2cccc(CNCCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is RTQDOMYYBYVLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFNO/c23-20-8-4-17(5-9-20)12-13-25-15-19-2-1-3-22(14-19)26-16-18-6-10-21(24)11-7-18/h1-11,14,25H,12-13,15-16H2.
What are the key properties of 2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 369.87 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 17208490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).