N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine

C10H14BrNO2 — CID 54140133

IUPACN-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Br)cc1OC
InChIInChI=1S/C10H14BrNO2/c1-12(11)7-8-4-5-9(13-2)10(6-8)14-3/h4-6H,7H2,1-3H3
InChIKeyOAMURDUBXSDDDO-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.45
Rot. Bonds4

About N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine

N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 54140133) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID54140133
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC NameN-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Br)cc1OC
InChIInChI=1S/C10H14BrNO2/c1-12(11)7-8-4-5-9(13-2)10(6-8)14-3/h4-6H,7H2,1-3H3
InChIKeyOAMURDUBXSDDDO-UHFFFAOYSA-N
XLogP2.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropan-1-amine
CID 80667582
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637367
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222331
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303

Frequently Asked Questions

What is the IUPAC name of N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine (CID 54140133) is N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine is COc1ccc(CN(C)Br)cc1OC.
What is the InChIKey of N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is OAMURDUBXSDDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-12(11)7-8-4-5-9(13-2)10(6-8)14-3/h4-6H,7H2,1-3H3.
What are the key properties of N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 260.13 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 54140133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).