N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane

C18H23Br2NO2 — CID 142156026

IUPACN-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane
SMILESCC.COc1ccc(CNCc2c(Br)cc(OC)cc2Br)cc1
InChIInChI=1S/C16H17Br2NO2.C2H6/c1-20-12-5-3-11(4-6-12)9-19-10-14-15(17)7-13(21-2)8-16(14)18;1-2/h3-8,19H,9-10H2,1-2H3;1-2H3
InChIKeyQBXPBKWZROHIKY-UHFFFAOYSA-N
MW445.20 g/mol
LogP5.54
Rot. Bonds6

About N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane

N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane (PubChem CID 142156026) has the molecular formula C18H23Br2NO2 and a molecular weight of 445.20 g/mol. Its IUPAC name is N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane.

Molecular Properties

Compound NameN-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane
PubChem CID142156026
Molecular FormulaC18H23Br2NO2
Molecular Weight445.20 g/mol
Exact Mass443.01
IUPAC NameN-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane
SMILESCC.COc1ccc(CNCc2c(Br)cc(OC)cc2Br)cc1
InChIInChI=1S/C16H17Br2NO2.C2H6/c1-20-12-5-3-11(4-6-12)9-19-10-14-15(17)7-13(21-2)8-16(14)18;1-2/h3-8,19H,9-10H2,1-2H3;1-2H3
InChIKeyQBXPBKWZROHIKY-UHFFFAOYSA-N
XLogP5.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.20
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43222843
N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine
CID 71850610
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane?
The IUPAC name of N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane (CID 142156026) is N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane.
What is the SMILES notation for N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane?
The canonical SMILES for N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane is CC.COc1ccc(CNCc2c(Br)cc(OC)cc2Br)cc1.
What is the InChIKey of N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane?
The InChIKey is QBXPBKWZROHIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2.C2H6/c1-20-12-5-3-11(4-6-12)9-19-10-14-15(17)7-13(21-2)8-16(14)18;1-2/h3-8,19H,9-10H2,1-2H3;1-2H3.
What are the key properties of N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane?
N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane has a molecular weight of 445.20 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane is sourced from PubChem (CID 142156026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).