3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline

C15H16ClNO2 — CID 81150488

IUPAC3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline
SMILESCOc1cc(N)cc(COc2cc(C)ccc2Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-10-3-4-14(16)15(5-10)19-9-11-6-12(17)8-13(7-11)18-2/h3-8H,9,17H2,1-2H3
InChIKeyWKSOFVCUNRTUKB-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.82
Rot. Bonds4

About 3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline

3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline (PubChem CID 81150488) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline
PubChem CID81150488
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline
SMILESCOc1cc(N)cc(COc2cc(C)ccc2Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-10-3-4-14(16)15(5-10)19-9-11-6-12(17)8-13(7-11)18-2/h3-8H,9,17H2,1-2H3
InChIKeyWKSOFVCUNRTUKB-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
CID 81145541
3-[(2-bromophenoxy)methyl]-5-methoxyaniline
CID 81150621
1,4-dichloro-2-[(3,5-dimethylphenyl)methoxy]benzene
CID 78906184
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62485881
2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine
CID 43245470
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891927
3-N-(2-chloro-4-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80723730
3-methoxy-5-[(4-methylsulfanylphenoxy)methyl]aniline
CID 81150277
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline?
The IUPAC name of 3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline (CID 81150488) is 3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline.
What is the SMILES notation for 3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline?
The canonical SMILES for 3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline is COc1cc(N)cc(COc2cc(C)ccc2Cl)c1.
What is the InChIKey of 3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline?
The InChIKey is WKSOFVCUNRTUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-3-4-14(16)15(5-10)19-9-11-6-12(17)8-13(7-11)18-2/h3-8H,9,17H2,1-2H3.
What are the key properties of 3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline?
3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline has a molecular weight of 277.75 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline is sourced from PubChem (CID 81150488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).