2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline

C12H18BrNO2 — CID 116501353

IUPAC2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1cc(OC)ccc1Br
InChIInChI=1S/C12H18BrNO2/c1-9(8-15-2)7-14-12-6-10(16-3)4-5-11(12)13/h4-6,9,14H,7-8H2,1-3H3
InChIKeyVWFLROCZNRNPPG-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.15
Rot. Bonds6

About 2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline

2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline (PubChem CID 116501353) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline
PubChem CID116501353
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1cc(OC)ccc1Br
InChIInChI=1S/C12H18BrNO2/c1-9(8-15-2)7-14-12-6-10(16-3)4-5-11(12)13/h4-6,9,14H,7-8H2,1-3H3
InChIKeyVWFLROCZNRNPPG-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
CID 115872019
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
CID 116500897
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
CID 105403175
3-bromo-4-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501354
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
CID 115524054
3-(2-bromo-5-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65327170
2-bromo-5-methoxy-N-(3-methoxy-3-methylbutan-2-yl)aniline
CID 114228239
2-bromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 79984094
2-bromo-N-ethyl-4-methoxyaniline
CID 130675906
2-chloro-N-(3-methoxy-2-methylpropyl)-4-methylaniline
CID 116500841

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline?
The IUPAC name of 2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline (CID 116501353) is 2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline.
What is the SMILES notation for 2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline?
The canonical SMILES for 2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline is COCC(C)CNc1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline?
The InChIKey is VWFLROCZNRNPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9(8-15-2)7-14-12-6-10(16-3)4-5-11(12)13/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline?
2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline has a molecular weight of 288.19 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline is sourced from PubChem (CID 116501353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).