5-chloro-2-(2,3-dimethoxyphenyl)aniline

C14H14ClNO2 — CID 82794309

IUPAC5-chloro-2-(2,3-dimethoxyphenyl)aniline
SMILESCOc1cccc(-c2ccc(Cl)cc2N)c1OC
InChIInChI=1S/C14H14ClNO2/c1-17-13-5-3-4-11(14(13)18-2)10-7-6-9(15)8-12(10)16/h3-8H,16H2,1-2H3
InChIKeyRNHXBDHYMTXJOG-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.61
Rot. Bonds3

About 5-chloro-2-(2,3-dimethoxyphenyl)aniline

5-chloro-2-(2,3-dimethoxyphenyl)aniline (PubChem CID 82794309) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 5-chloro-2-(2,3-dimethoxyphenyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(2,3-dimethoxyphenyl)aniline
PubChem CID82794309
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name5-chloro-2-(2,3-dimethoxyphenyl)aniline
SMILESCOc1cccc(-c2ccc(Cl)cc2N)c1OC
InChIInChI=1S/C14H14ClNO2/c1-17-13-5-3-4-11(14(13)18-2)10-7-6-9(15)8-12(10)16/h3-8H,16H2,1-2H3
InChIKeyRNHXBDHYMTXJOG-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.61
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

1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593741
1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912
2-(5-chloro-2-methoxyphenyl)-5-methylaniline
CID 82767066
5-chloro-2-[5-(4-chloro-2-nitrosophenyl)naphthalen-1-yl]aniline;ethane
CID 142358967
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
5-chloro-2-(2,6-dimethoxyphenoxy)benzenecarbothioamide
CID 62492869
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene
CID 139342224
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-dimethoxyphenyl)aniline?
The IUPAC name of 5-chloro-2-(2,3-dimethoxyphenyl)aniline (CID 82794309) is 5-chloro-2-(2,3-dimethoxyphenyl)aniline.
What is the SMILES notation for 5-chloro-2-(2,3-dimethoxyphenyl)aniline?
The canonical SMILES for 5-chloro-2-(2,3-dimethoxyphenyl)aniline is COc1cccc(-c2ccc(Cl)cc2N)c1OC.
What is the InChIKey of 5-chloro-2-(2,3-dimethoxyphenyl)aniline?
The InChIKey is RNHXBDHYMTXJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-17-13-5-3-4-11(14(13)18-2)10-7-6-9(15)8-12(10)16/h3-8H,16H2,1-2H3.
What are the key properties of 5-chloro-2-(2,3-dimethoxyphenyl)aniline?
5-chloro-2-(2,3-dimethoxyphenyl)aniline has a molecular weight of 263.72 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3-dimethoxyphenyl)aniline is sourced from PubChem (CID 82794309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).