2-methyl-4-(4-methylpentoxy)aniline

C13H21NO — CID 43436417

IUPAC2-methyl-4-(4-methylpentoxy)aniline
SMILESCc1cc(OCCCC(C)C)ccc1N
InChIInChI=1S/C13H21NO/c1-10(2)5-4-8-15-12-6-7-13(14)11(3)9-12/h6-7,9-10H,4-5,8,14H2,1-3H3
InChIKeyVEECDJCSXQXPPX-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.39
Rot. Bonds5

About 2-methyl-4-(4-methylpentoxy)aniline

2-methyl-4-(4-methylpentoxy)aniline (PubChem CID 43436417) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpentoxy)aniline.

Molecular Properties

Compound Name2-methyl-4-(4-methylpentoxy)aniline
PubChem CID43436417
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-4-(4-methylpentoxy)aniline
SMILESCc1cc(OCCCC(C)C)ccc1N
InChIInChI=1S/C13H21NO/c1-10(2)5-4-8-15-12-6-7-13(14)11(3)9-12/h6-7,9-10H,4-5,8,14H2,1-3H3
InChIKeyVEECDJCSXQXPPX-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(4-methylpentoxy)aniline 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

[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
CID 81279223
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-(4-methylpentoxy)-2-(trifluoromethyl)aniline
CID 28995037
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
2-methyl-4-nonoxyaniline
CID 43128997
4-(5-aminopentoxy)-2-methylaniline
CID 164576762
2-bromo-1,3-dimethyl-5-(4-methylpentoxy)benzene
CID 107723972
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
2-methyl-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721630
4-(4-amino-3-methylphenoxy)-N-methylbutanamide
CID 63892855
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpentoxy)aniline?
The IUPAC name of 2-methyl-4-(4-methylpentoxy)aniline (CID 43436417) is 2-methyl-4-(4-methylpentoxy)aniline.
What is the SMILES notation for 2-methyl-4-(4-methylpentoxy)aniline?
The canonical SMILES for 2-methyl-4-(4-methylpentoxy)aniline is Cc1cc(OCCCC(C)C)ccc1N.
What is the InChIKey of 2-methyl-4-(4-methylpentoxy)aniline?
The InChIKey is VEECDJCSXQXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)5-4-8-15-12-6-7-13(14)11(3)9-12/h6-7,9-10H,4-5,8,14H2,1-3H3.
What are the key properties of 2-methyl-4-(4-methylpentoxy)aniline?
2-methyl-4-(4-methylpentoxy)aniline has a molecular weight of 207.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpentoxy)aniline is sourced from PubChem (CID 43436417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).