3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline

C14H16BrNO2 — CID 82858067

IUPAC3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline
SMILESCCC(Nc1cc(Br)cc(OC)c1)c1ccco1
InChIInChI=1S/C14H16BrNO2/c1-3-13(14-5-4-6-18-14)16-11-7-10(15)8-12(9-11)17-2/h4-9,13,16H,3H2,1-2H3
InChIKeyFOPBAVQFRVHTOE-UHFFFAOYSA-N
MW310.19 g/mol
LogP4.61
Rot. Bonds5

About 3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline

3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline (PubChem CID 82858067) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline.

Molecular Properties

Compound Name3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline
PubChem CID82858067
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline
SMILESCCC(Nc1cc(Br)cc(OC)c1)c1ccco1
InChIInChI=1S/C14H16BrNO2/c1-3-13(14-5-4-6-18-14)16-11-7-10(15)8-12(9-11)17-2/h4-9,13,16H,3H2,1-2H3
InChIKeyFOPBAVQFRVHTOE-UHFFFAOYSA-N
XLogP4.61
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline
CID 82858224
3-bromo-N-[1-(2-fluorophenyl)propyl]-5-methoxyaniline
CID 115994440
4-[1-(3-bromo-5-methoxyanilino)propyl]phenol
CID 82857921
3-bromo-5-methoxy-N-(3-methyl-1-phenylbutyl)aniline
CID 82860561
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 107364032
4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
CID 81292021
methyl 3-[1-(furan-2-yl)propylamino]benzoate
CID 62632863
N-[1-(furan-2-yl)propyl]-4-(2,2,2-trifluoroethoxy)aniline
CID 62633976
4-bromo-N-[1-(furan-2-yl)propyl]-2-(trifluoromethyl)aniline
CID 63450598
5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
CID 114051949

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline?
The IUPAC name of 3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline (CID 82858067) is 3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline.
What is the SMILES notation for 3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline?
The canonical SMILES for 3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline is CCC(Nc1cc(Br)cc(OC)c1)c1ccco1.
What is the InChIKey of 3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline?
The InChIKey is FOPBAVQFRVHTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-3-13(14-5-4-6-18-14)16-11-7-10(15)8-12(9-11)17-2/h4-9,13,16H,3H2,1-2H3.
What are the key properties of 3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline?
3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline has a molecular weight of 310.19 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline is sourced from PubChem (CID 82858067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).