1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine

C12H16BrNO2 — CID 117460987

IUPAC1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
SMILESCONCc1cccc(OCC2CC2)c1Br
InChIInChI=1S/C12H16BrNO2/c1-15-14-7-10-3-2-4-11(12(10)13)16-8-9-5-6-9/h2-4,9,14H,5-8H2,1H3
InChIKeyLSHCVEOOSKIPFV-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.89
Rot. Bonds6

About 1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine

1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine (PubChem CID 117460987) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
PubChem CID117460987
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
SMILESCONCc1cccc(OCC2CC2)c1Br
InChIInChI=1S/C12H16BrNO2/c1-15-14-7-10-3-2-4-11(12(10)13)16-8-9-5-6-9/h2-4,9,14H,5-8H2,1H3
InChIKeyLSHCVEOOSKIPFV-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene
CID 171373950
2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117458882
O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117461107
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460986
1-(2-bromo-3-methylphenyl)-N-methoxymethanamine
CID 117331823
4-[2-bromo-3-(cyclopropylmethoxy)phenyl]butanoic acid
CID 117498225
1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296328
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65458078
2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117460851

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine (CID 117460987) is 1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine is CONCc1cccc(OCC2CC2)c1Br.
What is the InChIKey of 1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
The InChIKey is LSHCVEOOSKIPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-15-14-7-10-3-2-4-11(12(10)13)16-8-9-5-6-9/h2-4,9,14H,5-8H2,1H3.
What are the key properties of 1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine has a molecular weight of 286.17 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117460987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).