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

C17H20BrNO — CID 43757713

IUPAC2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
SMILESCOc1cc(C)ccc1C(C)Nc1ccc(C)cc1Br
InChIInChI=1S/C17H20BrNO/c1-11-6-8-16(15(18)9-11)19-13(3)14-7-5-12(2)10-17(14)20-4/h5-10,13,19H,1-4H3
InChIKeyMCBVQGAHHPKQPA-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.25
Rot. Bonds4

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

2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline (PubChem CID 43757713) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
PubChem CID43757713
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
SMILESCOc1cc(C)ccc1C(C)Nc1ccc(C)cc1Br
InChIInChI=1S/C17H20BrNO/c1-11-6-8-16(15(18)9-11)19-13(3)14-7-5-12(2)10-17(14)20-4/h5-10,13,19H,1-4H3
InChIKeyMCBVQGAHHPKQPA-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772548
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
2,4,5-trichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43759088
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
2,5-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 104726578
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772205
2-[1-(2,4-dibromo-5-methoxyanilino)ethyl]-4-methylphenol
CID 103411618
2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
CID 63066349
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
2-[1-(2,4-dibromoanilino)ethyl]-5-methylphenol
CID 43682995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline?
The IUPAC name of 2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline (CID 43757713) is 2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline?
The canonical SMILES for 2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline is COc1cc(C)ccc1C(C)Nc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline?
The InChIKey is MCBVQGAHHPKQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-6-8-16(15(18)9-11)19-13(3)14-7-5-12(2)10-17(14)20-4/h5-10,13,19H,1-4H3.
What are the key properties of 2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline?
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 43757713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).