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

C14H13BrClNO — CID 43347330

IUPAC4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H13BrClNO/c1-18-12-5-2-10(3-6-12)9-17-14-7-4-11(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKeyVEHFDSHCSFYHOH-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.72
Rot. Bonds4

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

4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 43347330) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID43347330
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H13BrClNO/c1-18-12-5-2-10(3-6-12)9-17-14-7-4-11(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKeyVEHFDSHCSFYHOH-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 28903349
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CID 115212369
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline
CID 114076417
2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55437326
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410874
2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 58268233
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1287772
4-bromo-2-chloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62758955
4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102909447
N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
CID 65323536

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline (CID 43347330) is 4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is VEHFDSHCSFYHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-18-12-5-2-10(3-6-12)9-17-14-7-4-11(15)8-13(14)16/h2-8,17H,9H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline?
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 326.62 g/mol, XLogP of 4.72, 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-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 43347330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).