2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline

C14H13ClFNO — CID 103591049

IUPAC2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
SMILESCc1cc(OCc2cccc(Cl)c2)c(N)cc1F
InChIInChI=1S/C14H13ClFNO/c1-9-5-14(13(17)7-12(9)16)18-8-10-3-2-4-11(15)6-10/h2-7H,8,17H2,1H3
InChIKeyMMUYCLFXFOFVPP-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.95
Rot. Bonds3

About 2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline

2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline (PubChem CID 103591049) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
PubChem CID103591049
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
SMILESCc1cc(OCc2cccc(Cl)c2)c(N)cc1F
InChIInChI=1S/C14H13ClFNO/c1-9-5-14(13(17)7-12(9)16)18-8-10-3-2-4-11(15)6-10/h2-7H,8,17H2,1H3
InChIKeyMMUYCLFXFOFVPP-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

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CID 43438078
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2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
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1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]butan-1-one
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4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775
(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
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CID 64765327

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline (CID 103591049) is 2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline is Cc1cc(OCc2cccc(Cl)c2)c(N)cc1F.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline?
The InChIKey is MMUYCLFXFOFVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-5-14(13(17)7-12(9)16)18-8-10-3-2-4-11(15)6-10/h2-7H,8,17H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline?
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-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 2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline is sourced from PubChem (CID 103591049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).