2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline

C15H15ClFNO — CID 107878129

IUPAC2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline
SMILESNc1ccccc1CCOCc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO/c16-13-6-5-11(9-14(13)17)10-19-8-7-12-3-1-2-4-15(12)18/h1-6,9H,7-8,10,18H2
InChIKeyRSPOPTMYMDZXSK-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.82
Rot. Bonds5

About 2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline

2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline (PubChem CID 107878129) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline
PubChem CID107878129
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline
SMILESNc1ccccc1CCOCc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO/c16-13-6-5-11(9-14(13)17)10-19-8-7-12-3-1-2-4-15(12)18/h1-6,9H,7-8,10,18H2
InChIKeyRSPOPTMYMDZXSK-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline
CID 102902193
2-[2-[(2-chloro-4-fluorophenyl)methoxy]ethyl]aniline
CID 102902199
2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)ethyl]aniline
CID 102902166
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
2-[2-(2-fluoroethoxy)ethyl]aniline
CID 102902179
4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
CID 107878057
1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
CID 107882644
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
(4-chloro-3-fluorophenyl)methyl 3-amino-2-chlorobenzoate
CID 107885824
2-(2-ethoxyethyl)aniline
CID 14619442
4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline
CID 43519712
2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107882860

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline?
The IUPAC name of 2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline (CID 107878129) is 2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline.
What is the SMILES notation for 2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline?
The canonical SMILES for 2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline is Nc1ccccc1CCOCc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline?
The InChIKey is RSPOPTMYMDZXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-13-6-5-11(9-14(13)17)10-19-8-7-12-3-1-2-4-15(12)18/h1-6,9H,7-8,10,18H2.
What are the key properties of 2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline?
2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline has a molecular weight of 279.74 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline is sourced from PubChem (CID 107878129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).