4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline

C14H13Br2NO — CID 43229311

IUPAC4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H13Br2NO/c1-18-14-7-2-10(8-13(14)16)9-17-12-5-3-11(15)4-6-12/h2-8,17H,9H2,1H3
InChIKeyAEYPOCSSWWKNGP-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.83
Rot. Bonds4

About 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline

4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline (PubChem CID 43229311) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
PubChem CID43229311
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H13Br2NO/c1-18-14-7-2-10(8-13(14)16)9-17-12-5-3-11(15)4-6-12/h2-8,17H,9H2,1H3
InChIKeyAEYPOCSSWWKNGP-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline
CID 993814
N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylsulfonylaniline
CID 43426154
5-[(4-bromoanilino)methyl]-2-methoxybenzonitrile
CID 65336149
N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825840
2-[4-[(3-bromo-4-methoxyphenyl)methylamino]phenoxy]acetonitrile
CID 43231775
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxyaniline
CID 63997239
N-[(3-bromo-4-methoxyphenyl)methyl]-3-iodoaniline
CID 43229966
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128810
3-bromo-N-[(3-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106816897
4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine
CID 55232940
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
N-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline
CID 126125683

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline (CID 43229311) is 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline?
The InChIKey is AEYPOCSSWWKNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-18-14-7-2-10(8-13(14)16)9-17-12-5-3-11(15)4-6-12/h2-8,17H,9H2,1H3.
What are the key properties of 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline?
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline has a molecular weight of 371.07 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 43229311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).