1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine

C12H18BrNO3 — CID 117489365

IUPAC1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
SMILESCCc1c(CNOC)c(Br)cc(OC)c1OC
InChIInChI=1S/C12H18BrNO3/c1-5-8-9(7-14-17-4)10(13)6-11(15-2)12(8)16-3/h6,14H,5,7H2,1-4H3
InChIKeySMRLRMXYHNBBLE-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.68
Rot. Bonds6

About 1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine

1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine (PubChem CID 117489365) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
PubChem CID117489365
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
SMILESCCc1c(CNOC)c(Br)cc(OC)c1OC
InChIInChI=1S/C12H18BrNO3/c1-5-8-9(7-14-17-4)10(13)6-11(15-2)12(8)16-3/h6,14H,5,7H2,1-4H3
InChIKeySMRLRMXYHNBBLE-UHFFFAOYSA-N
XLogP2.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
CID 117491265
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117495457
1-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499022
1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117441818
N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117468655
1-(2-ethyl-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117304180
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine
CID 117330352

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine (CID 117489365) is 1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine is CCc1c(CNOC)c(Br)cc(OC)c1OC.
What is the InChIKey of 1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine?
The InChIKey is SMRLRMXYHNBBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-5-8-9(7-14-17-4)10(13)6-11(15-2)12(8)16-3/h6,14H,5,7H2,1-4H3.
What are the key properties of 1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine?
1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine has a molecular weight of 304.18 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117489365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).