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

C16H18BrNO — CID 107582097

IUPAC3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
SMILESCOc1ccc(C)cc1CNc1cc(C)cc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-11-4-5-16(19-3)13(6-11)10-18-15-8-12(2)7-14(17)9-15/h4-9,18H,10H2,1-3H3
InChIKeyDOSMWGDJJISOSW-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.69
Rot. Bonds4

About 3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline

3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline (PubChem CID 107582097) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
PubChem CID107582097
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
SMILESCOc1ccc(C)cc1CNc1cc(C)cc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-11-4-5-16(19-3)13(6-11)10-18-15-8-12(2)7-14(17)9-15/h4-9,18H,10H2,1-3H3
InChIKeyDOSMWGDJJISOSW-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 104938214
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 103934347
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 107582067
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-5-methylaniline
CID 107582286
3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 775198
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline
CID 107582552
3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline
CID 106863048

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline?
The IUPAC name of 3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline (CID 107582097) is 3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline?
The canonical SMILES for 3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline is COc1ccc(C)cc1CNc1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline?
The InChIKey is DOSMWGDJJISOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-4-5-16(19-3)13(6-11)10-18-15-8-12(2)7-14(17)9-15/h4-9,18H,10H2,1-3H3.
What are the key properties of 3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline?
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline has a molecular weight of 320.23 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 107582097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).