1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine

C15H13Cl2F2NO — CID 82771424

IUPAC1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1C(C)(N)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F2NO/c1-15(20,9-6-13(19)12(17)7-11(9)16)10-5-8(18)3-4-14(10)21-2/h3-7H,20H2,1-2H3
InChIKeyGEYXFHKPJAASSU-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.50
Rot. Bonds3

About 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine

1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine (PubChem CID 82771424) has the molecular formula C15H13Cl2F2NO and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
PubChem CID82771424
Molecular FormulaC15H13Cl2F2NO
Molecular Weight332.18 g/mol
Exact Mass331.03
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1C(C)(N)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F2NO/c1-15(20,9-6-13(19)12(17)7-11(9)16)10-5-8(18)3-4-14(10)21-2/h3-7H,20H2,1-2H3
InChIKeyGEYXFHKPJAASSU-UHFFFAOYSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62794899
1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63408241
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 82769168
1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963746
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 94679966
1-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylethanamine
CID 65100095
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347090
1-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864
2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
CID 63407094

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine (CID 82771424) is 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine is COc1ccc(F)cc1C(C)(N)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The InChIKey is GEYXFHKPJAASSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO/c1-15(20,9-6-13(19)12(17)7-11(9)16)10-5-8(18)3-4-14(10)21-2/h3-7H,20H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine?
1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine has a molecular weight of 332.18 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 82771424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).