N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline

C15H14Cl2FNO — CID 43765572

IUPACN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NC(C)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9(12-7-15(18)14(17)8-13(12)16)19-10-4-3-5-11(6-10)20-2/h3-9,19H,1-2H3
InChIKeyWDKDCBYVCHQGJK-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.31
Rot. Bonds4

About N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline (PubChem CID 43765572) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline
PubChem CID43765572
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NC(C)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9(12-7-15(18)14(17)8-13(12)16)19-10-4-3-5-11(6-10)20-2/h3-9,19H,1-2H3
InChIKeyWDKDCBYVCHQGJK-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]aniline
CID 43762868
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(methoxymethyl)aniline
CID 43778869
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9377468
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol
CID 43790398
3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43101704
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 112823604
2-chloro-4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzonitrile
CID 43775118
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline?
The IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline (CID 43765572) is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline.
What is the SMILES notation for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline?
The canonical SMILES for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline is COc1cccc(NC(C)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline?
The InChIKey is WDKDCBYVCHQGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9(12-7-15(18)14(17)8-13(12)16)19-10-4-3-5-11(6-10)20-2/h3-9,19H,1-2H3.
What are the key properties of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline?
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline has a molecular weight of 314.19 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 43765572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).