3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline

C14H13Cl2NO2 — CID 43247195

IUPAC3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO2/c1-18-13-5-3-11(17)6-9(13)8-19-14-4-2-10(15)7-12(14)16/h2-7H,8,17H2,1H3
InChIKeyNFRHRCBRNPJIDK-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.16
Rot. Bonds4

About 3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline

3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline (PubChem CID 43247195) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline
PubChem CID43247195
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO2/c1-18-13-5-3-11(17)6-9(13)8-19-14-4-2-10(15)7-12(14)16/h2-7H,8,17H2,1H3
InChIKeyNFRHRCBRNPJIDK-UHFFFAOYSA-N
XLogP4.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.16
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-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline
CID 12526908
3-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
[3,5-dichloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanol
CID 43646746
3-[(2-bromo-4-fluorophenoxy)methyl]-4-methoxyaniline
CID 43247179
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
CID 43247193
2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine
CID 115464873
ethyl 2-amino-3-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]propanoate
CID 165351321
3-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]-1-phenylprop-2-en-1-one
CID 5110556
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414
3-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 3919613

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline?
The IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline (CID 43247195) is 3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline.
What is the SMILES notation for 3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline?
The canonical SMILES for 3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline is COc1ccc(N)cc1COc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline?
The InChIKey is NFRHRCBRNPJIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-18-13-5-3-11(17)6-9(13)8-19-14-4-2-10(15)7-12(14)16/h2-7H,8,17H2,1H3.
What are the key properties of 3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline?
3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline has a molecular weight of 298.17 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline is sourced from PubChem (CID 43247195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).