4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline

C16H18BrNO3 — CID 79480562

IUPAC4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline
SMILESCOc1cc(CNc2ccc(Br)c(OC)c2)cc(OC)c1
InChIInChI=1S/C16H18BrNO3/c1-19-13-6-11(7-14(9-13)20-2)10-18-12-4-5-15(17)16(8-12)21-3/h4-9,18H,10H2,1-3H3
InChIKeyCFEVJRSAGAEVPC-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.09
Rot. Bonds6

About 4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline

4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline (PubChem CID 79480562) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline
PubChem CID79480562
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline
SMILESCOc1cc(CNc2ccc(Br)c(OC)c2)cc(OC)c1
InChIInChI=1S/C16H18BrNO3/c1-19-13-6-11(7-14(9-13)20-2)10-18-12-4-5-15(17)16(8-12)21-3/h4-9,18H,10H2,1-3H3
InChIKeyCFEVJRSAGAEVPC-UHFFFAOYSA-N
XLogP4.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-methoxy-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82857502
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4-bromo-N-(isoquinolin-6-ylmethyl)-3-methoxyaniline
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3-[(4-bromo-3-methoxyanilino)methyl]benzonitrile
CID 79478848
4-bromo-N-[(3-cyclopropylphenyl)methyl]-3-methoxyaniline
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4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 66473576
4-[(4-bromo-3-methoxyanilino)methyl]benzene-1,2,3-triol
CID 103952983
N-[(3,4-dibromophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114838318
4-bromo-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 79479165
N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline
CID 29030576

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline?
The IUPAC name of 4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline (CID 79480562) is 4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline is COc1cc(CNc2ccc(Br)c(OC)c2)cc(OC)c1.
What is the InChIKey of 4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline?
The InChIKey is CFEVJRSAGAEVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-19-13-6-11(7-14(9-13)20-2)10-18-12-4-5-15(17)16(8-12)21-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline?
4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline has a molecular weight of 352.23 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 79480562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).