2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline

C13H10ClF2NO — CID 62783723

IUPAC2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline
SMILESNc1cc(COc2cc(F)cc(F)c2)ccc1Cl
InChIInChI=1S/C13H10ClF2NO/c14-12-2-1-8(3-13(12)17)7-18-11-5-9(15)4-10(16)6-11/h1-6H,7,17H2
InChIKeyYTNLZCLURNAMHJ-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.78
Rot. Bonds3

About 2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline

2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline (PubChem CID 62783723) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline
PubChem CID62783723
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline
SMILESNc1cc(COc2cc(F)cc(F)c2)ccc1Cl
InChIInChI=1S/C13H10ClF2NO/c14-12-2-1-8(3-13(12)17)7-18-11-5-9(15)4-10(16)6-11/h1-6H,7,17H2
InChIKeyYTNLZCLURNAMHJ-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.78
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-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
4-[(3-amino-4-chlorophenyl)methoxy]phenol
CID 117221951
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-2-chloroaniline
CID 107722857
2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
CID 81267909
2-chloro-5-(pyridin-3-yloxymethyl)aniline
CID 117221990
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
5-chloro-6-[(3,5-difluorophenoxy)methyl]pyridin-2-amine
CID 55127269
2-chloro-5-(methoxymethyl)aniline
CID 43349916
2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 103040665
5-[(2-bromo-4-chlorophenoxy)methyl]-2-chloroaniline
CID 43349955

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline?
The IUPAC name of 2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline (CID 62783723) is 2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline.
What is the SMILES notation for 2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline?
The canonical SMILES for 2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline is Nc1cc(COc2cc(F)cc(F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline?
The InChIKey is YTNLZCLURNAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-12-2-1-8(3-13(12)17)7-18-11-5-9(15)4-10(16)6-11/h1-6H,7,17H2.
What are the key properties of 2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline?
2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline has a molecular weight of 269.68 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline is sourced from PubChem (CID 62783723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).