1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine

C10H14BrNO — CID 881866

IUPAC1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1ccc(Br)cc1CN(C)C
InChIInChI=1S/C10H14BrNO/c1-12(2)7-8-6-9(11)4-5-10(8)13-3/h4-6H,7H2,1-3H3
InChIKeyLYFFUJLINWPKAX-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.52
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine

1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 881866) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
PubChem CID881866
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1ccc(Br)cc1CN(C)C
InChIInChI=1S/C10H14BrNO/c1-12(2)7-8-6-9(11)4-5-10(8)13-3/h4-6H,7H2,1-3H3
InChIKeyLYFFUJLINWPKAX-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine (CID 881866) is 1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine is COc1ccc(Br)cc1CN(C)C.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is LYFFUJLINWPKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-12(2)7-8-6-9(11)4-5-10(8)13-3/h4-6H,7H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine?
1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 244.13 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 881866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).