4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline

C14H13ClFNO — CID 112651663

IUPAC4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline
SMILESNc1ccc(COCc2cccc(F)c2Cl)cc1
InChIInChI=1S/C14H13ClFNO/c15-14-11(2-1-3-13(14)16)9-18-8-10-4-6-12(17)7-5-10/h1-7H,8-9,17H2
InChIKeyKLJBUYBQUDLKQI-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.78
Rot. Bonds4

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

4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline (PubChem CID 112651663) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline.

Molecular Properties

Compound Name4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline
PubChem CID112651663
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline
SMILESNc1ccc(COCc2cccc(F)c2Cl)cc1
InChIInChI=1S/C14H13ClFNO/c15-14-11(2-1-3-13(14)16)9-18-8-10-4-6-12(17)7-5-10/h1-7H,8-9,17H2
InChIKeyKLJBUYBQUDLKQI-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124497
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
4-(phenylmethoxymethyl)aniline
CID 11701294
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline
CID 43381965
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid
CID 115460495
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline
CID 112651692
2-chloro-6-(phenylmethoxymethyl)aniline
CID 14155410
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline?
The IUPAC name of 4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline (CID 112651663) is 4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline.
What is the SMILES notation for 4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline?
The canonical SMILES for 4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline is Nc1ccc(COCc2cccc(F)c2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline?
The InChIKey is KLJBUYBQUDLKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-14-11(2-1-3-13(14)16)9-18-8-10-4-6-12(17)7-5-10/h1-7H,8-9,17H2.
What are the key properties of 4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline?
4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline has a molecular weight of 265.72 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline is sourced from PubChem (CID 112651663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).