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

C17H20BrNO — CID 107630164

IUPAC3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
SMILESCCOc1ccc(C(C)Nc2cccc(Br)c2C)cc1
InChIInChI=1S/C17H20BrNO/c1-4-20-15-10-8-14(9-11-15)13(3)19-17-7-5-6-16(18)12(17)2/h5-11,13,19H,4H2,1-3H3
InChIKeyGZSBRBHRJYBXQN-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.33
Rot. Bonds5

About 3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline

3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline (PubChem CID 107630164) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
PubChem CID107630164
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
SMILESCCOc1ccc(C(C)Nc2cccc(Br)c2C)cc1
InChIInChI=1S/C17H20BrNO/c1-4-20-15-10-8-14(9-11-15)13(3)19-17-7-5-6-16(18)12(17)2/h5-11,13,19H,4H2,1-3H3
InChIKeyGZSBRBHRJYBXQN-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

3-bromo-2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 107630254
2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
CID 107597432
3-bromo-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 107629620
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylaniline
CID 107630093
4-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-ethylaniline
CID 81287491
N-[1-(4-ethoxyphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715912
N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine
CID 60931875
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 55203039
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
2-bromo-3-chloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 103478542
2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43109686

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline?
The IUPAC name of 3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline (CID 107630164) is 3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline?
The canonical SMILES for 3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline is CCOc1ccc(C(C)Nc2cccc(Br)c2C)cc1.
What is the InChIKey of 3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline?
The InChIKey is GZSBRBHRJYBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-20-15-10-8-14(9-11-15)13(3)19-17-7-5-6-16(18)12(17)2/h5-11,13,19H,4H2,1-3H3.
What are the key properties of 3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline?
3-bromo-N-[1-(4-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 3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 107630164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).