3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline

C14H22BrNO2 — CID 82858303

IUPAC3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline
SMILESCOc1cc(Br)cc(NC(C)CC(C)(C)OC)c1
InChIInChI=1S/C14H22BrNO2/c1-10(9-14(2,3)18-5)16-12-6-11(15)7-13(8-12)17-4/h6-8,10,16H,9H2,1-5H3
InChIKeyFUCYFRXMVLABGF-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.07
Rot. Bonds6

About 3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline

3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline (PubChem CID 82858303) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline
PubChem CID82858303
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline
SMILESCOc1cc(Br)cc(NC(C)CC(C)(C)OC)c1
InChIInChI=1S/C14H22BrNO2/c1-10(9-14(2,3)18-5)16-12-6-11(15)7-13(8-12)17-4/h6-8,10,16H,9H2,1-5H3
InChIKeyFUCYFRXMVLABGF-UHFFFAOYSA-N
XLogP4.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-5-methoxyanilino)butanoic acid
CID 82868127
3-bromo-5-methoxy-N-octan-2-ylaniline
CID 82857926
3-bromo-5-methoxy-N-nonan-2-ylaniline
CID 82857292
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methoxyaniline
CID 114830578
3-(3-bromo-5-methoxyanilino)-N'-hydroxybutanimidamide
CID 82867427
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148
6-methoxy-N-(4-methoxy-4-methylpentan-2-yl)pyridin-3-amine
CID 43146958
3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline
CID 82867863
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857305
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567
3-bromo-5-methoxy-N-(3-methyl-1-phenylbutyl)aniline
CID 82860561
3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 60935267

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The IUPAC name of 3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline (CID 82858303) is 3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline.
What is the SMILES notation for 3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The canonical SMILES for 3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline is COc1cc(Br)cc(NC(C)CC(C)(C)OC)c1.
What is the InChIKey of 3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The InChIKey is FUCYFRXMVLABGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-10(9-14(2,3)18-5)16-12-6-11(15)7-13(8-12)17-4/h6-8,10,16H,9H2,1-5H3.
What are the key properties of 3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline?
3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline has a molecular weight of 316.24 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline is sourced from PubChem (CID 82858303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).