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

C22H20Cl2FNO — CID 4718513

IUPACN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H20Cl2FNO/c23-19-9-8-18(21(24)13-19)15-27-20-6-3-4-16(12-20)14-26-11-10-17-5-1-2-7-22(17)25/h1-9,12-13,26H,10-11,14-15H2
InChIKeyDUXFHBLRJAAUQS-UHFFFAOYSA-N
MW404.31 g/mol
LogP6.04
Rot. Bonds8

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

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 4718513) has the molecular formula C22H20Cl2FNO and a molecular weight of 404.31 g/mol. Its IUPAC name is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID4718513
Molecular FormulaC22H20Cl2FNO
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H20Cl2FNO/c23-19-9-8-18(21(24)13-19)15-27-20-6-3-4-16(12-20)14-26-11-10-17-5-1-2-7-22(17)25/h1-9,12-13,26H,10-11,14-15H2
InChIKeyDUXFHBLRJAAUQS-UHFFFAOYSA-N
XLogP6.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 56.04
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-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17209881
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 4716403
N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720695
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17293135
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine (CID 4718513) is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is DUXFHBLRJAAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FNO/c23-19-9-8-18(21(24)13-19)15-27-20-6-3-4-16(12-20)14-26-11-10-17-5-1-2-7-22(17)25/h1-9,12-13,26H,10-11,14-15H2.
What are the key properties of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 404.31 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 4718513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).