5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline

C15H16BrNO — CID 61060558

IUPAC5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
SMILESCOc1ccc(Br)cc1NCc1ccccc1C
InChIInChI=1S/C15H16BrNO/c1-11-5-3-4-6-12(11)10-17-14-9-13(16)7-8-15(14)18-2/h3-9,17H,10H2,1-2H3
InChIKeyBMSNQVJFIKLOJO-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.38
Rot. Bonds4

About 5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline

5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline (PubChem CID 61060558) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
PubChem CID61060558
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
SMILESCOc1ccc(Br)cc1NCc1ccccc1C
InChIInChI=1S/C15H16BrNO/c1-11-5-3-4-6-12(11)10-17-14-9-13(16)7-8-15(14)18-2/h3-9,17H,10H2,1-2H3
InChIKeyBMSNQVJFIKLOJO-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-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline
CID 2846564
4-[(5-bromo-2-methoxyanilino)methyl]-3-methylbenzonitrile
CID 114480110
5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 43686508
5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63456234
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343041
5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 43787810
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
CID 63454126
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
CID 23767629
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline (CID 61060558) is 5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline is COc1ccc(Br)cc1NCc1ccccc1C.
What is the InChIKey of 5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is BMSNQVJFIKLOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-5-3-4-6-12(11)10-17-14-9-13(16)7-8-15(14)18-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline?
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline 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 5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 61060558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).