1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine

C10H13Br2NO — CID 4717481

IUPAC1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1c(Br)cc(Br)cc1CNC
InChIInChI=1S/C10H13Br2NO/c1-3-14-10-7(6-13-2)4-8(11)5-9(10)12/h4-5,13H,3,6H2,1-2H3
InChIKeyABRAIWMNCSTNDT-UHFFFAOYSA-N
MW323.03 g/mol
LogP3.33
Rot. Bonds4

About 1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine

1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine (PubChem CID 4717481) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
PubChem CID4717481
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1c(Br)cc(Br)cc1CNC
InChIInChI=1S/C10H13Br2NO/c1-3-14-10-7(6-13-2)4-8(11)5-9(10)12/h4-5,13H,3,6H2,1-2H3
InChIKeyABRAIWMNCSTNDT-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propan-2-ol
CID 51432536
2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 107597573
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 60658348
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine
CID 63476481
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460542
3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]pentanenitrile
CID 62648012
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331469
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226362
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4725454
1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine
CID 43220452
2-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propanoic acid
CID 54959237

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine (CID 4717481) is 1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine is CCOc1c(Br)cc(Br)cc1CNC.
What is the InChIKey of 1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is ABRAIWMNCSTNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c1-3-14-10-7(6-13-2)4-8(11)5-9(10)12/h4-5,13H,3,6H2,1-2H3.
What are the key properties of 1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine?
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 323.03 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 4717481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).