4-bromo-5-(cyclopropylmethoxy)-2-methylaniline

C11H14BrNO — CID 121221486

IUPAC4-bromo-5-(cyclopropylmethoxy)-2-methylaniline
SMILESCc1cc(Br)c(OCC2CC2)cc1N
InChIInChI=1S/C11H14BrNO/c1-7-4-9(12)11(5-10(7)13)14-6-8-2-3-8/h4-5,8H,2-3,6,13H2,1H3
InChIKeyPIAPAQQTNRAHHS-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.13
Rot. Bonds3

About 4-bromo-5-(cyclopropylmethoxy)-2-methylaniline

4-bromo-5-(cyclopropylmethoxy)-2-methylaniline (PubChem CID 121221486) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-bromo-5-(cyclopropylmethoxy)-2-methylaniline.

Molecular Properties

Compound Name4-bromo-5-(cyclopropylmethoxy)-2-methylaniline
PubChem CID121221486
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-bromo-5-(cyclopropylmethoxy)-2-methylaniline
SMILESCc1cc(Br)c(OCC2CC2)cc1N
InChIInChI=1S/C11H14BrNO/c1-7-4-9(12)11(5-10(7)13)14-6-8-2-3-8/h4-5,8H,2-3,6,13H2,1H3
InChIKeyPIAPAQQTNRAHHS-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-5-(cyclopropylmethoxy)-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

5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
CID 130549167
5-bromo-4-(cyclopropylmethoxy)-2-methylpyridine
CID 144638458
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene
CID 139341709
[3-bromo-5-(cyclopropylmethoxy)-4-methoxyphenyl]methanamine
CID 117460838
2-bromo-4-(cyclopropylmethoxy)aniline
CID 97179592
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
5-bromo-4-(cyclopentylmethoxy)pyridin-2-amine
CID 156580290
S-[3-bromo-4-(cyclopropylmethoxy)phenoxy]thiohydroxylamine;ethane
CID 144832890
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460986
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(cyclopropylmethoxy)-2-methylaniline?
The IUPAC name of 4-bromo-5-(cyclopropylmethoxy)-2-methylaniline (CID 121221486) is 4-bromo-5-(cyclopropylmethoxy)-2-methylaniline.
What is the SMILES notation for 4-bromo-5-(cyclopropylmethoxy)-2-methylaniline?
The canonical SMILES for 4-bromo-5-(cyclopropylmethoxy)-2-methylaniline is Cc1cc(Br)c(OCC2CC2)cc1N.
What is the InChIKey of 4-bromo-5-(cyclopropylmethoxy)-2-methylaniline?
The InChIKey is PIAPAQQTNRAHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-4-9(12)11(5-10(7)13)14-6-8-2-3-8/h4-5,8H,2-3,6,13H2,1H3.
What are the key properties of 4-bromo-5-(cyclopropylmethoxy)-2-methylaniline?
4-bromo-5-(cyclopropylmethoxy)-2-methylaniline has a molecular weight of 256.14 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(cyclopropylmethoxy)-2-methylaniline is sourced from PubChem (CID 121221486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).