4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline

C17H20BrNO — CID 43100277

IUPAC4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
SMILESCCOc1ccccc1C(C)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H20BrNO/c1-4-20-17-8-6-5-7-15(17)13(3)19-16-10-9-14(18)11-12(16)2/h5-11,13,19H,4H2,1-3H3
InChIKeyUUOQPHNGTWXJSU-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.33
Rot. Bonds5

About 4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline

4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline (PubChem CID 43100277) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
PubChem CID43100277
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
SMILESCCOc1ccccc1C(C)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H20BrNO/c1-4-20-17-8-6-5-7-15(17)13(3)19-16-10-9-14(18)11-12(16)2/h5-11,13,19H,4H2,1-3H3
InChIKeyUUOQPHNGTWXJSU-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 81262643
4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline
CID 43082336
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline
CID 60781271
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673
3-bromo-4-[1-(2-ethoxyphenyl)ethylamino]benzonitrile
CID 43722768
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline?
The IUPAC name of 4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline (CID 43100277) is 4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline is CCOc1ccccc1C(C)Nc1ccc(Br)cc1C.
What is the InChIKey of 4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline?
The InChIKey is UUOQPHNGTWXJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-20-17-8-6-5-7-15(17)13(3)19-16-10-9-14(18)11-12(16)2/h5-11,13,19H,4H2,1-3H3.
What are the key properties of 4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline?
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 43100277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).