N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine

C17H19Br2NO — CID 43426257

IUPACN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
SMILESCCOc1c(Br)cc(CNCc2cccc(C)c2)cc1Br
InChIInChI=1S/C17H19Br2NO/c1-3-21-17-15(18)8-14(9-16(17)19)11-20-10-13-6-4-5-12(2)7-13/h4-9,20H,3,10-11H2,1-2H3
InChIKeyMEIATMWKSUKZEA-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.21
Rot. Bonds6

About N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine

N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine (PubChem CID 43426257) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
PubChem CID43426257
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC NameN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
SMILESCCOc1c(Br)cc(CNCc2cccc(C)c2)cc1Br
InChIInChI=1S/C17H19Br2NO/c1-3-21-17-15(18)8-14(9-16(17)19)11-20-10-13-6-4-5-12(2)7-13/h4-9,20H,3,10-11H2,1-2H3
InChIKeyMEIATMWKSUKZEA-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 78902256
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-methylaniline
CID 43755589
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43423608
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17158543
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17155625
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 43773097
3-[(3,5-dibromo-4-ethoxyphenyl)methylamino]propan-1-ol
CID 43220362
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904272

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine (CID 43426257) is N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine is CCOc1c(Br)cc(CNCc2cccc(C)c2)cc1Br.
What is the InChIKey of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine?
The InChIKey is MEIATMWKSUKZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-3-21-17-15(18)8-14(9-16(17)19)11-20-10-13-6-4-5-12(2)7-13/h4-9,20H,3,10-11H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine?
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine has a molecular weight of 413.15 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 43426257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).