N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline

C15H19BrN2O2 — CID 43686533

IUPACN-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
SMILESCOc1ccc(CN(C)C)cc1NCc1ccc(Br)o1
InChIInChI=1S/C15H19BrN2O2/c1-18(2)10-11-4-6-14(19-3)13(8-11)17-9-12-5-7-15(16)20-12/h4-8,17H,9-10H2,1-3H3
InChIKeyGNBIGEIXVIUQHF-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.72
Rot. Bonds6

About N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline

N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline (PubChem CID 43686533) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
PubChem CID43686533
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
SMILESCOc1ccc(CN(C)C)cc1NCc1ccc(Br)o1
InChIInChI=1S/C15H19BrN2O2/c1-18(2)10-11-4-6-14(19-3)13(8-11)17-9-12-5-7-15(16)20-12/h4-8,17H,9-10H2,1-3H3
InChIKeyGNBIGEIXVIUQHF-UHFFFAOYSA-N
XLogP3.72
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(dimethylamino)methyl]-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 62346152
3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide
CID 43743930
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715745
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
CID 66387140
5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 43686508
5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66410939
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
5-[(dimethylamino)methyl]-2-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761096
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol
CID 79782269

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline (CID 43686533) is N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline is COc1ccc(CN(C)C)cc1NCc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline?
The InChIKey is GNBIGEIXVIUQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-18(2)10-11-4-6-14(19-3)13(8-11)17-9-12-5-7-15(16)20-12/h4-8,17H,9-10H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline?
N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline has a molecular weight of 339.23 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline is sourced from PubChem (CID 43686533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).