1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine

C12H18BrNO4 — CID 82710693

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C12H18BrNO4/c1-15-4-5-18-14-8-9-6-11(16-2)12(17-3)7-10(9)13/h6-7,14H,4-5,8H2,1-3H3
InChIKeyONPYJRUEVAVPSH-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.13
Rot. Bonds8

About 1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine

1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine (PubChem CID 82710693) has the molecular formula C12H18BrNO4 and a molecular weight of 320.18 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine
PubChem CID82710693
Molecular FormulaC12H18BrNO4
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C12H18BrNO4/c1-15-4-5-18-14-8-9-6-11(16-2)12(17-3)7-10(9)13/h6-7,14H,4-5,8H2,1-3H3
InChIKeyONPYJRUEVAVPSH-UHFFFAOYSA-N
XLogP2.13
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43225544
1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine
CID 82715534
N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine
CID 82714412
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 43220432
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-methylethanesulfonamide
CID 102674833
5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 115625537
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119316725
(2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]propanoic acid
CID 94212923
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylsulfonylethanamine
CID 47267472
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline
CID 43425592
1-[5-bromo-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715327

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine (CID 82710693) is 1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine is COCCONCc1cc(OC)c(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine?
The InChIKey is ONPYJRUEVAVPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO4/c1-15-4-5-18-14-8-9-6-11(16-2)12(17-3)7-10(9)13/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine?
1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine has a molecular weight of 320.18 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine is sourced from PubChem (CID 82710693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).