4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline

C17H20BrNO — CID 63449951

IUPAC4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCOc1cc(Br)cc(C)c1NC(C)c1ccc(C)cc1
InChIInChI=1S/C17H20BrNO/c1-11-5-7-14(8-6-11)13(3)19-17-12(2)9-15(18)10-16(17)20-4/h5-10,13,19H,1-4H3
InChIKeyRISYYHAIQUYSAE-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.25
Rot. Bonds4

About 4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline

4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline (PubChem CID 63449951) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
PubChem CID63449951
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCOc1cc(Br)cc(C)c1NC(C)c1ccc(C)cc1
InChIInChI=1S/C17H20BrNO/c1-11-5-7-14(8-6-11)13(3)19-17-12(2)9-15(18)10-16(17)20-4/h5-10,13,19H,1-4H3
InChIKeyRISYYHAIQUYSAE-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

4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
CID 54864197
4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
CID 63448717
2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol
CID 60942739
4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 63450033
4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline
CID 114228199
4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline
CID 63449990
4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43716780
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
CID 63752631
4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline
CID 63448815
4-bromo-2,6-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 65469450
3-bromo-N-[1-(4-methoxyphenyl)ethyl]-5-methylaniline
CID 107582000
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349676

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline (CID 63449951) is 4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline is COc1cc(Br)cc(C)c1NC(C)c1ccc(C)cc1.
What is the InChIKey of 4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The InChIKey is RISYYHAIQUYSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-5-7-14(8-6-11)13(3)19-17-12(2)9-15(18)10-16(17)20-4/h5-10,13,19H,1-4H3.
What are the key properties of 4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline 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 4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 63449951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).