2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline

C14H12Br2ClNO — CID 43763039

IUPAC2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
SMILESCOc1c(Br)cc(Br)cc1CNc1ccccc1Cl
InChIInChI=1S/C14H12Br2ClNO/c1-19-14-9(6-10(15)7-11(14)16)8-18-13-5-3-2-4-12(13)17/h2-7,18H,8H2,1H3
InChIKeyRYHUNVMHBWLMJG-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.49
Rot. Bonds4

About 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline

2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline (PubChem CID 43763039) has the molecular formula C14H12Br2ClNO and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
PubChem CID43763039
Molecular FormulaC14H12Br2ClNO
Molecular Weight405.52 g/mol
Exact Mass402.90
IUPAC Name2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
SMILESCOc1c(Br)cc(Br)cc1CNc1ccccc1Cl
InChIInChI=1S/C14H12Br2ClNO/c1-19-14-9(6-10(15)7-11(14)16)8-18-13-5-3-2-4-12(13)17/h2-7,18H,8H2,1H3
InChIKeyRYHUNVMHBWLMJG-UHFFFAOYSA-N
XLogP5.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
CID 43772623
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]benzoic acid
CID 43774575
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-2-methylaniline
CID 63454694
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
4-chloro-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]benzonitrile
CID 43780525
2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 107610436
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075
5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 63477755
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 43221034

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline (CID 43763039) is 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline is COc1c(Br)cc(Br)cc1CNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline?
The InChIKey is RYHUNVMHBWLMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClNO/c1-19-14-9(6-10(15)7-11(14)16)8-18-13-5-3-2-4-12(13)17/h2-7,18H,8H2,1H3.
What are the key properties of 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline?
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline has a molecular weight of 405.52 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 43763039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).