N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline

C15H16BrNO2 — CID 23767629

IUPACN-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NCc2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-18-12-7-8-15(19-2)14(9-12)17-10-11-5-3-4-6-13(11)16/h3-9,17H,10H2,1-2H3
InChIKeyFYIZJNYELDIVPN-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.08
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline

N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline (PubChem CID 23767629) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
PubChem CID23767629
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NCc2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO2/c1-18-12-7-8-15(19-2)14(9-12)17-10-11-5-3-4-6-13(11)16/h3-9,17H,10H2,1-2H3
InChIKeyFYIZJNYELDIVPN-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
CID 43699564
N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 102615378
N-[(2-bromo-5-methoxyphenyl)methyl]-2-tert-butylaniline
CID 65323655
N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline
CID 80703281
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
CID 66385425
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2,5-dimethoxyaniline
CID 68722559
1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880406
2-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]aniline
CID 43344247

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline (CID 23767629) is N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NCc2ccccc2Br)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline?
The InChIKey is FYIZJNYELDIVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-18-12-7-8-15(19-2)14(9-12)17-10-11-5-3-4-6-13(11)16/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline?
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline has a molecular weight of 322.20 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 23767629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).