5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline

C14H13ClFNO — CID 39365275

IUPAC5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
SMILESCc1ccc(OCc2c(F)cccc2Cl)cc1N
InChIInChI=1S/C14H13ClFNO/c1-9-5-6-10(7-14(9)17)18-8-11-12(15)3-2-4-13(11)16/h2-7H,8,17H2,1H3
InChIKeyVPVZWGYRLNXPNX-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.95
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline

5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline (PubChem CID 39365275) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
PubChem CID39365275
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
SMILESCc1ccc(OCc2c(F)cccc2Cl)cc1N
InChIInChI=1S/C14H13ClFNO/c1-9-5-6-10(7-14(9)17)18-8-11-12(15)3-2-4-13(11)16/h2-7H,8,17H2,1H3
InChIKeyVPVZWGYRLNXPNX-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.95
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

1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
(2-chloro-6-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665527
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
2-[(3,4-dichlorophenoxy)methyl]-3-fluoroaniline
CID 63331345
5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline
CID 118192487
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]benzenecarbothioamide
CID 102724350
7-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 63549722
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
2-[(3-bromo-4-fluorophenoxy)methyl]-3-chloroaniline
CID 83233189

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline (CID 39365275) is 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline is Cc1ccc(OCc2c(F)cccc2Cl)cc1N.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline?
The InChIKey is VPVZWGYRLNXPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-5-6-10(7-14(9)17)18-8-11-12(15)3-2-4-13(11)16/h2-7H,8,17H2,1H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline?
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline has a molecular weight of 265.72 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline is sourced from PubChem (CID 39365275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).