2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine

C12H15BrClNO — CID 65496044

IUPAC2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine
SMILESNCCC1(COc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C12H15BrClNO/c13-10-7-9(14)1-2-11(10)16-8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2
InChIKeyLZGRMECMIBANSY-UHFFFAOYSA-N
MW304.61 g/mol
LogP3.61
Rot. Bonds5

About 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine

2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine (PubChem CID 65496044) has the molecular formula C12H15BrClNO and a molecular weight of 304.61 g/mol. Its IUPAC name is 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine
PubChem CID65496044
Molecular FormulaC12H15BrClNO
Molecular Weight304.61 g/mol
Exact Mass303.00
IUPAC Name2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine
SMILESNCCC1(COc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C12H15BrClNO/c13-10-7-9(14)1-2-11(10)16-8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2
InChIKeyLZGRMECMIBANSY-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine 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-[1-[(2,4-dichlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65495619
2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65498164
2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanethioamide
CID 65498113
2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine
CID 65496896
[4-[(2-bromo-4-chlorophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006488
2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine
CID 65497318
2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene
CID 65008364
2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65013825
2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine
CID 65497942
4-[(2-bromo-4-chlorophenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497181
2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine
CID 65496464
2-[1-[(5-chloro-3-pyridinyl)oxymethyl]cyclopropyl]ethanamine
CID 65495416

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine (CID 65496044) is 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine is NCCC1(COc2ccc(Cl)cc2Br)CC1.
What is the InChIKey of 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine?
The InChIKey is LZGRMECMIBANSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c13-10-7-9(14)1-2-11(10)16-8-12(3-4-12)5-6-15/h1-2,7H,3-6,8,15H2.
What are the key properties of 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine?
2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine has a molecular weight of 304.61 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65496044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).