2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline

C15H16BrNO — CID 82761234

IUPAC2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1ccccc1CNc1cc(C)ccc1Br
InChIInChI=1S/C15H16BrNO/c1-11-7-8-13(16)14(9-11)17-10-12-5-3-4-6-15(12)18-2/h3-9,17H,10H2,1-2H3
InChIKeyBRUJBTYGFZJNMH-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.38
Rot. Bonds4

About 2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline

2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline (PubChem CID 82761234) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
PubChem CID82761234
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1ccccc1CNc1cc(C)ccc1Br
InChIInChI=1S/C15H16BrNO/c1-11-7-8-13(16)14(9-11)17-10-12-5-3-4-6-15(12)18-2/h3-9,17H,10H2,1-2H3
InChIKeyBRUJBTYGFZJNMH-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 82761585
3-[(2-bromo-5-methylanilino)methyl]-4-methoxybenzonitrile
CID 82713778
2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39386889
2-bromo-4-iodo-N-[(2-methoxyphenyl)methyl]aniline
CID 114259087
2-[(2-bromo-5-methylanilino)methyl]benzonitrile
CID 103865844
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087
2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39422604
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915
4-[(2-bromo-5-methylanilino)methyl]-2-methoxyphenol
CID 82762170
2-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82762114
2-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82761157
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline?
The IUPAC name of 2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline (CID 82761234) is 2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline is COc1ccccc1CNc1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline?
The InChIKey is BRUJBTYGFZJNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-7-8-13(16)14(9-11)17-10-12-5-3-4-6-15(12)18-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline?
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline has a molecular weight of 306.20 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 82761234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).