5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline

C16H18ClNO4 — CID 19624547

IUPAC5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
SMILESCOc1cc(COc2ccc(Cl)cc2N)cc(OC)c1OC
InChIInChI=1S/C16H18ClNO4/c1-19-14-6-10(7-15(20-2)16(14)21-3)9-22-13-5-4-11(17)8-12(13)18/h4-8H,9,18H2,1-3H3
InChIKeyFDVWHZLHEWNSJL-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.53
Rot. Bonds6

About 5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline

5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline (PubChem CID 19624547) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is 5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
PubChem CID19624547
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Name5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
SMILESCOc1cc(COc2ccc(Cl)cc2N)cc(OC)c1OC
InChIInChI=1S/C16H18ClNO4/c1-19-14-6-10(7-15(20-2)16(14)21-3)9-22-13-5-4-11(17)8-12(13)18/h4-8H,9,18H2,1-3H3
InChIKeyFDVWHZLHEWNSJL-UHFFFAOYSA-N
XLogP3.53
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19627067
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
3-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624482
2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline
CID 28521783
2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
CID 83008379
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
4-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19626867
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline
CID 43379169
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
The IUPAC name of 5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline (CID 19624547) is 5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline.
What is the SMILES notation for 5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
The canonical SMILES for 5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline is COc1cc(COc2ccc(Cl)cc2N)cc(OC)c1OC.
What is the InChIKey of 5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
The InChIKey is FDVWHZLHEWNSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c1-19-14-6-10(7-15(20-2)16(14)21-3)9-22-13-5-4-11(17)8-12(13)18/h4-8H,9,18H2,1-3H3.
What are the key properties of 5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline has a molecular weight of 323.78 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline is sourced from PubChem (CID 19624547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).