N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline

C16H18BrNO2 — CID 43192925

IUPACN-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2ccccc2Br)c1
InChIInChI=1S/C16H18BrNO2/c1-11(13-6-4-5-7-14(13)17)18-15-10-12(19-2)8-9-16(15)20-3/h4-11,18H,1-3H3
InChIKeyNEHVMSWNANYLTQ-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.64
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline

N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline (PubChem CID 43192925) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
PubChem CID43192925
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2ccccc2Br)c1
InChIInChI=1S/C16H18BrNO2/c1-11(13-6-4-5-7-14(13)17)18-15-10-12(19-2)8-9-16(15)20-3/h4-11,18H,1-3H3
InChIKeyNEHVMSWNANYLTQ-UHFFFAOYSA-N
XLogP4.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43760240
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
CID 43121263
N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
CID 107167769
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43824329
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371563
N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43680054
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
CID 23767629
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline (CID 43192925) is N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NC(C)c2ccccc2Br)c1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline?
The InChIKey is NEHVMSWNANYLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(13-6-4-5-7-14(13)17)18-15-10-12(19-2)8-9-16(15)20-3/h4-11,18H,1-3H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline?
N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline has a molecular weight of 336.23 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 43192925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).