2-bromo-4-(cyclopropylmethoxy)aniline

C10H12BrNO — CID 97179592

IUPAC2-bromo-4-(cyclopropylmethoxy)aniline
SMILESNc1ccc(OCC2CC2)cc1Br
InChIInChI=1S/C10H12BrNO/c11-9-5-8(3-4-10(9)12)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2
InChIKeyCUXIBHMSLCACMR-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.82
Rot. Bonds3

About 2-bromo-4-(cyclopropylmethoxy)aniline

2-bromo-4-(cyclopropylmethoxy)aniline (PubChem CID 97179592) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-bromo-4-(cyclopropylmethoxy)aniline.

Molecular Properties

Compound Name2-bromo-4-(cyclopropylmethoxy)aniline
PubChem CID97179592
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-bromo-4-(cyclopropylmethoxy)aniline
SMILESNc1ccc(OCC2CC2)cc1Br
InChIInChI=1S/C10H12BrNO/c11-9-5-8(3-4-10(9)12)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2
InChIKeyCUXIBHMSLCACMR-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267
4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline
CID 146356134
4-(cyclopentylmethoxy)-2-methylaniline
CID 26190241
2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol
CID 151817566
[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
CID 107275264
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
3-bromo-6-(cyclopropylmethoxy)phenanthrene
CID 86614878
2-bromo-4-(cyclopentylmethoxy)benzonitrile
CID 107277070
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
S-[3-bromo-4-(cyclopropylmethoxy)phenoxy]thiohydroxylamine
CID 134311171
2-chloro-4-(oxan-4-ylmethoxy)aniline
CID 62384730
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(cyclopropylmethoxy)aniline?
The IUPAC name of 2-bromo-4-(cyclopropylmethoxy)aniline (CID 97179592) is 2-bromo-4-(cyclopropylmethoxy)aniline.
What is the SMILES notation for 2-bromo-4-(cyclopropylmethoxy)aniline?
The canonical SMILES for 2-bromo-4-(cyclopropylmethoxy)aniline is Nc1ccc(OCC2CC2)cc1Br.
What is the InChIKey of 2-bromo-4-(cyclopropylmethoxy)aniline?
The InChIKey is CUXIBHMSLCACMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-5-8(3-4-10(9)12)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2.
What are the key properties of 2-bromo-4-(cyclopropylmethoxy)aniline?
2-bromo-4-(cyclopropylmethoxy)aniline has a molecular weight of 242.12 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(cyclopropylmethoxy)aniline is sourced from PubChem (CID 97179592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).