2-chloro-4-cyclobutyloxy-5-methylaniline

C11H14ClNO — CID 115555322

IUPAC2-chloro-4-cyclobutyloxy-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1OC1CCC1
InChIInChI=1S/C11H14ClNO/c1-7-5-10(13)9(12)6-11(7)14-8-3-2-4-8/h5-6,8H,2-4,13H2,1H3
InChIKeyHFTBXIJFFQJMOV-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.16
Rot. Bonds2

About 2-chloro-4-cyclobutyloxy-5-methylaniline

2-chloro-4-cyclobutyloxy-5-methylaniline (PubChem CID 115555322) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-4-cyclobutyloxy-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-cyclobutyloxy-5-methylaniline
PubChem CID115555322
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-4-cyclobutyloxy-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1OC1CCC1
InChIInChI=1S/C11H14ClNO/c1-7-5-10(13)9(12)6-11(7)14-8-3-2-4-8/h5-6,8H,2-4,13H2,1H3
InChIKeyHFTBXIJFFQJMOV-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-cyclobutyloxy-5-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

2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine
CID 114099091
2-chloro-4,5-dimethylaniline
CID 53416768
2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine
CID 113334150
5-chloro-4-cyclobutyloxypyridin-2-amine
CID 170715785
4-butoxy-2-chloro-5-methylaniline
CID 115555294
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline
CID 115555267
2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline
CID 115555244
4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride
CID 82934940
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
1-cyclohexyloxy-5-ethyl-2,4-dimethylbenzene
CID 126707098
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
2-cyclopentyloxy-4,5-dimethoxyaniline
CID 83008231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclobutyloxy-5-methylaniline?
The IUPAC name of 2-chloro-4-cyclobutyloxy-5-methylaniline (CID 115555322) is 2-chloro-4-cyclobutyloxy-5-methylaniline.
What is the SMILES notation for 2-chloro-4-cyclobutyloxy-5-methylaniline?
The canonical SMILES for 2-chloro-4-cyclobutyloxy-5-methylaniline is Cc1cc(N)c(Cl)cc1OC1CCC1.
What is the InChIKey of 2-chloro-4-cyclobutyloxy-5-methylaniline?
The InChIKey is HFTBXIJFFQJMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-5-10(13)9(12)6-11(7)14-8-3-2-4-8/h5-6,8H,2-4,13H2,1H3.
What are the key properties of 2-chloro-4-cyclobutyloxy-5-methylaniline?
2-chloro-4-cyclobutyloxy-5-methylaniline has a molecular weight of 211.69 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclobutyloxy-5-methylaniline is sourced from PubChem (CID 115555322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).