4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline

C14H12BrCl2NO — CID 43410874

IUPAC4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(Cl)cc1CNc1ccc(Br)cc1Cl
InChIInChI=1S/C14H12BrCl2NO/c1-19-14-5-3-11(16)6-9(14)8-18-13-4-2-10(15)7-12(13)17/h2-7,18H,8H2,1H3
InChIKeyCLMLWPPUVVEDMJ-UHFFFAOYSA-N
MW361.07 g/mol
LogP5.38
Rot. Bonds4

About 4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline

4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline (PubChem CID 43410874) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
PubChem CID43410874
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(Cl)cc1CNc1ccc(Br)cc1Cl
InChIInChI=1S/C14H12BrCl2NO/c1-19-14-5-3-11(16)6-9(14)8-18-13-4-2-10(15)7-12(13)17/h2-7,18H,8H2,1H3
InChIKeyCLMLWPPUVVEDMJ-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline
CID 63445893
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
N-[(5-bromo-2-methoxyphenyl)methyl]-2,4,5-trichloroaniline
CID 43324015
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
CID 63454126
N-[(5-bromo-2-methoxyphenyl)methyl]-2-chloro-4-nitroaniline
CID 43686199
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dichloroaniline
CID 107787860
2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol
CID 43347281
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300
N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 43087958

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline (CID 43410874) is 4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline is COc1ccc(Cl)cc1CNc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline?
The InChIKey is CLMLWPPUVVEDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-19-14-5-3-11(16)6-9(14)8-18-13-4-2-10(15)7-12(13)17/h2-7,18H,8H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline?
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline has a molecular weight of 361.07 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 43410874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).