N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine

C16H17Br2NO — CID 65323834

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine
SMILESCOc1ccc(Br)c(CNC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17Br2NO/c1-11(12-3-5-14(17)6-4-12)19-10-13-9-15(20-2)7-8-16(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeyKWGOEXUCPMKCAF-UHFFFAOYSA-N
MW399.13 g/mol
LogP5.07
Rot. Bonds5

About N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine

N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine (PubChem CID 65323834) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine
PubChem CID65323834
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine
SMILESCOc1ccc(Br)c(CNC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17Br2NO/c1-11(12-3-5-14(17)6-4-12)19-10-13-9-15(20-2)7-8-16(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeyKWGOEXUCPMKCAF-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.13
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355551
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
3-[1-[(2-bromo-5-methoxyphenyl)methylamino]ethyl]phenol
CID 103827970
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
(1R)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81400902
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104865436
N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115693136
N-[(2-bromo-5-methoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271187
methyl 2-[(2-bromo-5-methoxyphenyl)methylamino]propanoate
CID 65323693
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chlorobutan-2-amine
CID 83186503
N-[(2-bromo-5-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893565

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine (CID 65323834) is N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine is COc1ccc(Br)c(CNC(C)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine?
The InChIKey is KWGOEXUCPMKCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-11(12-3-5-14(17)6-4-12)19-10-13-9-15(20-2)7-8-16(13)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine?
N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine has a molecular weight of 399.13 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-bromophenyl)ethanamine is sourced from PubChem (CID 65323834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).