N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine

C13H18BrNO — CID 80666884

IUPACN-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccccc1CN(CCBr)C1CC1
InChIInChI=1S/C13H18BrNO/c1-16-13-5-3-2-4-11(13)10-15(9-8-14)12-6-7-12/h2-5,12H,6-10H2,1H3
InChIKeyNVMDBNVBZPIVQM-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.05
Rot. Bonds6

About N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine

N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine (PubChem CID 80666884) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
PubChem CID80666884
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccccc1CN(CCBr)C1CC1
InChIInChI=1S/C13H18BrNO/c1-16-13-5-3-2-4-11(13)10-15(9-8-14)12-6-7-12/h2-5,12H,6-10H2,1H3
InChIKeyNVMDBNVBZPIVQM-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
N-(2-bromoethyl)-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopropanamine
CID 80670003
N-(2-bromoethyl)-N-[(2-chlorophenyl)methyl]cyclobutanamine
CID 102860888
N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648276
N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine
CID 71891918
2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120898289
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401
2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid
CID 110161396
N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 46986465
1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 112840259

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine (CID 80666884) is N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine is COc1ccccc1CN(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine?
The InChIKey is NVMDBNVBZPIVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-13-5-3-2-4-11(13)10-15(9-8-14)12-6-7-12/h2-5,12H,6-10H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine?
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine has a molecular weight of 284.20 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 80666884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).