2-chloro-5-[(3-fluorophenyl)methoxy]aniline

C13H11ClFNO — CID 39355675

IUPAC2-chloro-5-[(3-fluorophenyl)methoxy]aniline
SMILESNc1cc(OCc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C13H11ClFNO/c14-12-5-4-11(7-13(12)16)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2
InChIKeySMLPIRYBYHHBIP-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.64
Rot. Bonds3

About 2-chloro-5-[(3-fluorophenyl)methoxy]aniline

2-chloro-5-[(3-fluorophenyl)methoxy]aniline (PubChem CID 39355675) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-chloro-5-[(3-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name2-chloro-5-[(3-fluorophenyl)methoxy]aniline
PubChem CID39355675
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-chloro-5-[(3-fluorophenyl)methoxy]aniline
SMILESNc1cc(OCc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C13H11ClFNO/c14-12-5-4-11(7-13(12)16)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2
InChIKeySMLPIRYBYHHBIP-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline
CID 62783723
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
CID 146470006
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol
CID 66808677
1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 155677507
2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
CID 81267909
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-fluorophenyl)methoxy]aniline?
The IUPAC name of 2-chloro-5-[(3-fluorophenyl)methoxy]aniline (CID 39355675) is 2-chloro-5-[(3-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 2-chloro-5-[(3-fluorophenyl)methoxy]aniline?
The canonical SMILES for 2-chloro-5-[(3-fluorophenyl)methoxy]aniline is Nc1cc(OCc2cccc(F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3-fluorophenyl)methoxy]aniline?
The InChIKey is SMLPIRYBYHHBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-12-5-4-11(7-13(12)16)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2.
What are the key properties of 2-chloro-5-[(3-fluorophenyl)methoxy]aniline?
2-chloro-5-[(3-fluorophenyl)methoxy]aniline has a molecular weight of 251.69 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 39355675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).