N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine

C18H22BrNO4 — CID 71850610

IUPACN-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(CNCc2c(Br)cc(OC)cc2OC)c1
InChIInChI=1S/C18H22BrNO4/c1-21-13-5-6-17(23-3)12(7-13)10-20-11-15-16(19)8-14(22-2)9-18(15)24-4/h5-9,20H,10-11H2,1-4H3
InChIKeyGNTHBXRAKHQCAN-UHFFFAOYSA-N
MW396.28 g/mol
LogP3.77
Rot. Bonds8

About N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine

N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine (PubChem CID 71850610) has the molecular formula C18H22BrNO4 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine
PubChem CID71850610
Molecular FormulaC18H22BrNO4
Molecular Weight396.28 g/mol
Exact Mass395.07
IUPAC NameN-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(CNCc2c(Br)cc(OC)cc2OC)c1
InChIInChI=1S/C18H22BrNO4/c1-21-13-5-6-17(23-3)12(7-13)10-20-11-15-16(19)8-14(22-2)9-18(15)24-4/h5-9,20H,10-11H2,1-4H3
InChIKeyGNTHBXRAKHQCAN-UHFFFAOYSA-N
XLogP3.77
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-bromo-4,6-dimethoxyphenyl)methyl]propan-2-amine
CID 115735467
1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 112724642
1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine
CID 23882259
2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 115614887
N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane
CID 142156026
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
3-[(2-bromo-4,6-dimethoxyphenyl)methylamino]propanoic acid
CID 120913155
1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222214
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine (CID 71850610) is N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine is COc1ccc(OC)c(CNCc2c(Br)cc(OC)cc2OC)c1.
What is the InChIKey of N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine?
The InChIKey is GNTHBXRAKHQCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO4/c1-21-13-5-6-17(23-3)12(7-13)10-20-11-15-16(19)8-14(22-2)9-18(15)24-4/h5-9,20H,10-11H2,1-4H3.
What are the key properties of N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine?
N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine has a molecular weight of 396.28 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 71850610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).