4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline

C16H18BrNO2 — CID 43194565

IUPAC4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C16H18BrNO2/c1-11(18-13-6-4-12(17)5-7-13)15-9-8-14(19-2)10-16(15)20-3/h4-11,18H,1-3H3
InChIKeyCELDDPCMGACLJX-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.64
Rot. Bonds5

About 4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline

4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline (PubChem CID 43194565) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
PubChem CID43194565
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C16H18BrNO2/c1-11(18-13-6-4-12(17)5-7-13)15-9-8-14(19-2)10-16(15)20-3/h4-11,18H,1-3H3
InChIKeyCELDDPCMGACLJX-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

3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43102736
N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine
CID 66351681
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62903700
(2S)-2-[(R)-(4-bromoanilino)-(2,4-dimethoxyphenyl)methyl]-2H-furan-5-one
CID 134839260
[3-[1-(2,4-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715117
2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol
CID 61048862
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
CID 63429476
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43093470

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
The IUPAC name of 4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline (CID 43194565) is 4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
The InChIKey is CELDDPCMGACLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(18-13-6-4-12(17)5-7-13)15-9-8-14(19-2)10-16(15)20-3/h4-11,18H,1-3H3.
What are the key properties of 4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline?
4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline 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 4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43194565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).