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

C15H16ClNO — CID 43509419

IUPAC3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline
SMILESCc1ccc(Cl)c(OCc2cccc(N)c2C)c1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-13(16)15(8-10)18-9-12-4-3-5-14(17)11(12)2/h3-8H,9,17H2,1-2H3
InChIKeyGAXXRASSGQDEQA-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.12
Rot. Bonds3

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

3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline (PubChem CID 43509419) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline
PubChem CID43509419
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline
SMILESCc1ccc(Cl)c(OCc2cccc(N)c2C)c1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-13(16)15(8-10)18-9-12-4-3-5-14(17)11(12)2/h3-8H,9,17H2,1-2H3
InChIKeyGAXXRASSGQDEQA-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-bromo-2,5-dichlorophenoxy)methyl]-2-methylaniline
CID 107656068
2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
CID 107305411
5-bromo-2-[(2-chloro-5-methylphenoxy)methyl]aniline
CID 114380808
3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline
CID 65318206
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
3-[(2-chloro-5-methylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107116075
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
3-[(3-chloro-4-fluorophenoxy)methyl]-2-methylaniline
CID 55220354
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline?
The IUPAC name of 3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline (CID 43509419) is 3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline.
What is the SMILES notation for 3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline?
The canonical SMILES for 3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline is Cc1ccc(Cl)c(OCc2cccc(N)c2C)c1.
What is the InChIKey of 3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline?
The InChIKey is GAXXRASSGQDEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-6-7-13(16)15(8-10)18-9-12-4-3-5-14(17)11(12)2/h3-8H,9,17H2,1-2H3.
What are the key properties of 3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline?
3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline has a molecular weight of 261.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline is sourced from PubChem (CID 43509419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).