1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine

C11H16BrNO2 — CID 82706232

IUPAC1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
SMILESCCCOc1ccc(Br)cc1CNOC
InChIInChI=1S/C11H16BrNO2/c1-3-6-15-11-5-4-10(12)7-9(11)8-13-14-2/h4-5,7,13H,3,6,8H2,1-2H3
InChIKeyLAUGXECHPJPZTN-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.89
Rot. Bonds6

About 1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine

1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine (PubChem CID 82706232) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
PubChem CID82706232
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
SMILESCCCOc1ccc(Br)cc1CNOC
InChIInChI=1S/C11H16BrNO2/c1-3-6-15-11-5-4-10(12)7-9(11)8-13-14-2/h4-5,7,13H,3,6,8H2,1-2H3
InChIKeyLAUGXECHPJPZTN-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
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-(5-bromo-2-propoxyphenyl)-N-(2-methylpropoxy)methanamine
CID 82712779
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[(5-bromo-2-propoxyphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047756
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63453722
N-[[5-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449718
2-[(5-bromo-2-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312603
N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
CID 43765740
N-[(5-bromo-2-propoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843787
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 115614925
4-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-2-fluoroaniline
CID 43759707
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-5-fluoroaniline
CID 107632583
N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine
CID 63479004

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine (CID 82706232) is 1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine is CCCOc1ccc(Br)cc1CNOC.
What is the InChIKey of 1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine?
The InChIKey is LAUGXECHPJPZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-6-15-11-5-4-10(12)7-9(11)8-13-14-2/h4-5,7,13H,3,6,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine?
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine has a molecular weight of 274.16 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-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 82706232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).