5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline

C17H20BrNO — CID 63456234

IUPAC5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
SMILESCOc1ccc(Br)cc1NCc1c(C)cc(C)cc1C
InChIInChI=1S/C17H20BrNO/c1-11-7-12(2)15(13(3)8-11)10-19-16-9-14(18)5-6-17(16)20-4/h5-9,19H,10H2,1-4H3
InChIKeyZGYRBFNBEKIXHN-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.00
Rot. Bonds4

About 5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline

5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline (PubChem CID 63456234) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
PubChem CID63456234
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
SMILESCOc1ccc(Br)cc1NCc1c(C)cc(C)cc1C
InChIInChI=1S/C17H20BrNO/c1-11-7-12(2)15(13(3)8-11)10-19-16-9-14(18)5-6-17(16)20-4/h5-9,19H,10H2,1-4H3
InChIKeyZGYRBFNBEKIXHN-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
CID 61059947
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847
5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61223553
4-[(5-bromo-2-methoxyanilino)methyl]-3-methylbenzonitrile
CID 114480110
5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554999
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline
CID 54968321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline?
The IUPAC name of 5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline (CID 63456234) is 5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline is COc1ccc(Br)cc1NCc1c(C)cc(C)cc1C.
What is the InChIKey of 5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline?
The InChIKey is ZGYRBFNBEKIXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-7-12(2)15(13(3)8-11)10-19-16-9-14(18)5-6-17(16)20-4/h5-9,19H,10H2,1-4H3.
What are the key properties of 5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline?
5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline has a molecular weight of 334.26 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 63456234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).