1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine

C10H14BrNO — CID 117219351

IUPAC1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(Br)ccc1CN(C)C
InChIInChI=1S/C10H14BrNO/c1-12(2)7-8-4-5-9(11)6-10(8)13-3/h4-6H,7H2,1-3H3
InChIKeyGIUIUGZXJVKJEK-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.52
Rot. Bonds3

About 1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine

1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 117219351) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
PubChem CID117219351
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(Br)ccc1CN(C)C
InChIInChI=1S/C10H14BrNO/c1-12(2)7-8-4-5-9(11)6-10(8)13-3/h4-6H,7H2,1-3H3
InChIKeyGIUIUGZXJVKJEK-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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Related Compounds

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CID 119098888
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1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596
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CID 172604005
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CID 117219861
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CID 11301666
N'-[(4-bromo-2-methoxyphenyl)methyl]-N-propylpropane-1,3-diamine
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CID 91884164

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine (CID 117219351) is 1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine is COc1cc(Br)ccc1CN(C)C.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is GIUIUGZXJVKJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-12(2)7-8-4-5-9(11)6-10(8)13-3/h4-6H,7H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine?
1-(4-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-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 117219351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).