3-chloro-4-cyclobutyloxy-N,5-dimethylaniline

C12H16ClNO — CID 171849066

IUPAC3-chloro-4-cyclobutyloxy-N,5-dimethylaniline
SMILESCNc1cc(C)c(OC2CCC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-8-6-9(14-2)7-11(13)12(8)15-10-4-3-5-10/h6-7,10,14H,3-5H2,1-2H3
InChIKeyYJYMAXCSKMMUEU-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.62
Rot. Bonds3

About 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline

3-chloro-4-cyclobutyloxy-N,5-dimethylaniline (PubChem CID 171849066) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline.

Molecular Properties

Compound Name3-chloro-4-cyclobutyloxy-N,5-dimethylaniline
PubChem CID171849066
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-4-cyclobutyloxy-N,5-dimethylaniline
SMILESCNc1cc(C)c(OC2CCC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-8-6-9(14-2)7-11(13)12(8)15-10-4-3-5-10/h6-7,10,14H,3-5H2,1-2H3
InChIKeyYJYMAXCSKMMUEU-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline 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

1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol
CID 176855083
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
2-chloro-4-cyclobutyloxy-5-methylaniline
CID 115555322
4-cycloheptyloxy-N-methylaniline
CID 82930112
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
CID 117432318
magnesium;2-cyclohexyloxy-1,3-dimethylbenzene-5-ide;bromide
CID 91655391
lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide
CID 158093078
3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline
CID 113240227
(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
CID 43515648
3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine
CID 79618917
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline?
The IUPAC name of 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline (CID 171849066) is 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline.
What is the SMILES notation for 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline?
The canonical SMILES for 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline is CNc1cc(C)c(OC2CCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline?
The InChIKey is YJYMAXCSKMMUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-6-9(14-2)7-11(13)12(8)15-10-4-3-5-10/h6-7,10,14H,3-5H2,1-2H3.
What are the key properties of 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline?
3-chloro-4-cyclobutyloxy-N,5-dimethylaniline has a molecular weight of 225.72 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclobutyloxy-N,5-dimethylaniline is sourced from PubChem (CID 171849066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).