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

C15H15BrClNO — CID 103478108

IUPAC2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1CNc1cccc(Cl)c1Br
InChIInChI=1S/C15H15BrClNO/c1-10-6-7-14(19-2)11(8-10)9-18-13-5-3-4-12(17)15(13)16/h3-8,18H,9H2,1-2H3
InChIKeyDRLNUIUCFSMVFC-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.03
Rot. Bonds4

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

2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline (PubChem CID 103478108) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
PubChem CID103478108
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1CNc1cccc(Cl)c1Br
InChIInChI=1S/C15H15BrClNO/c1-10-6-7-14(19-2)11(8-10)9-18-13-5-3-4-12(17)15(13)16/h3-8,18H,9H2,1-2H3
InChIKeyDRLNUIUCFSMVFC-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
CID 104726123
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 107597883
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 83167191
2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609
2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 103478952
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 104599975
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline (CID 103478108) is 2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline is COc1ccc(C)cc1CNc1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
The InChIKey is DRLNUIUCFSMVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10-6-7-14(19-2)11(8-10)9-18-13-5-3-4-12(17)15(13)16/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline?
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline has a molecular weight of 340.65 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline is sourced from PubChem (CID 103478108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).