2-(5-chloro-2-methoxyphenyl)-5-methylaniline

C14H14ClNO — CID 82767066

IUPAC2-(5-chloro-2-methoxyphenyl)-5-methylaniline
SMILESCOc1ccc(Cl)cc1-c1ccc(C)cc1N
InChIInChI=1S/C14H14ClNO/c1-9-3-5-11(13(16)7-9)12-8-10(15)4-6-14(12)17-2/h3-8H,16H2,1-2H3
InChIKeyKDRZGADNBPNPIY-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.91
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-5-methylaniline

2-(5-chloro-2-methoxyphenyl)-5-methylaniline (PubChem CID 82767066) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-5-methylaniline.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-5-methylaniline
PubChem CID82767066
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-(5-chloro-2-methoxyphenyl)-5-methylaniline
SMILESCOc1ccc(Cl)cc1-c1ccc(C)cc1N
InChIInChI=1S/C14H14ClNO/c1-9-3-5-11(13(16)7-9)12-8-10(15)4-6-14(12)17-2/h3-8H,16H2,1-2H3
InChIKeyKDRZGADNBPNPIY-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.91
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

5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
CID 82366084
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309
2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole
CID 63386396
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 66161691
4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
3-amino-6-(5-chloro-2-methoxyphenyl)-1H-pyridin-2-one
CID 82467202
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-methylaniline?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-methylaniline (CID 82767066) is 2-(5-chloro-2-methoxyphenyl)-5-methylaniline.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-5-methylaniline?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-5-methylaniline is COc1ccc(Cl)cc1-c1ccc(C)cc1N.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-5-methylaniline?
The InChIKey is KDRZGADNBPNPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-3-5-11(13(16)7-9)12-8-10(15)4-6-14(12)17-2/h3-8H,16H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-5-methylaniline?
2-(5-chloro-2-methoxyphenyl)-5-methylaniline has a molecular weight of 247.72 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-5-methylaniline is sourced from PubChem (CID 82767066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).