4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline

C15H17BrN2O — CID 54864197

IUPAC4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
SMILESCOc1cc(Br)cc(C)c1NC(C)c1cccnc1
InChIInChI=1S/C15H17BrN2O/c1-10-7-13(16)8-14(19-3)15(10)18-11(2)12-5-4-6-17-9-12/h4-9,11,18H,1-3H3
InChIKeyBWIMVBSBFQQHFO-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.33
Rot. Bonds4

About 4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline

4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline (PubChem CID 54864197) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
PubChem CID54864197
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
SMILESCOc1cc(Br)cc(C)c1NC(C)c1cccnc1
InChIInChI=1S/C15H17BrN2O/c1-10-7-13(16)8-14(19-3)15(10)18-11(2)12-5-4-6-17-9-12/h4-9,11,18H,1-3H3
InChIKeyBWIMVBSBFQQHFO-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 63449951
4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 63450033
2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol
CID 60942739
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407566
3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
CID 43380580
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78950918
4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
CID 63448717
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
CID 63752631
2-bromo-4,6-difluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43347635
7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine
CID 146148083
4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline
CID 63449990
(1S)-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344839

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline?
The IUPAC name of 4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline (CID 54864197) is 4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline?
The canonical SMILES for 4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline is COc1cc(Br)cc(C)c1NC(C)c1cccnc1.
What is the InChIKey of 4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline?
The InChIKey is BWIMVBSBFQQHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-7-13(16)8-14(19-3)15(10)18-11(2)12-5-4-6-17-9-12/h4-9,11,18H,1-3H3.
What are the key properties of 4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline?
4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline has a molecular weight of 321.22 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 54864197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).