2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline

C12H16BrNO — CID 104860257

IUPAC2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline
SMILESCOc1ccc(Br)c(NC2CC(C)C2)c1
InChIInChI=1S/C12H16BrNO/c1-8-5-9(6-8)14-12-7-10(15-2)3-4-11(12)13/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyCZPQSPIXEZHMHS-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.67
Rot. Bonds3

About 2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline

2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline (PubChem CID 104860257) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline
PubChem CID104860257
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline
SMILESCOc1ccc(Br)c(NC2CC(C)C2)c1
InChIInChI=1S/C12H16BrNO/c1-8-5-9(6-8)14-12-7-10(15-2)3-4-11(12)13/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyCZPQSPIXEZHMHS-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-methoxy-N-(3-methylcyclobutyl)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-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 64752121
2,5-dibromo-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43736849
2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline
CID 55193326
2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870482
(2-bromo-5-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanone
CID 105105211
N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518457
N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107633014
3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550857
tert-butyl 3-(2-bromo-5-methoxyanilino)pyrrolidine-1-carboxylate
CID 103820985
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline (CID 104860257) is 2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline is COc1ccc(Br)c(NC2CC(C)C2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline?
The InChIKey is CZPQSPIXEZHMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-5-9(6-8)14-12-7-10(15-2)3-4-11(12)13/h3-4,7-9,14H,5-6H2,1-2H3.
What are the key properties of 2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline?
2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline has a molecular weight of 270.17 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 104860257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).