N-[(5-bromofuran-2-yl)methyl]-4-propylaniline

C14H16BrNO — CID 28665805

IUPACN-[(5-bromofuran-2-yl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C14H16BrNO/c1-2-3-11-4-6-12(7-5-11)16-10-13-8-9-14(15)17-13/h4-9,16H,2-3,10H2,1H3
InChIKeyXOCJLOXGCIFPSY-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.61
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-4-propylaniline

N-[(5-bromofuran-2-yl)methyl]-4-propylaniline (PubChem CID 28665805) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-4-propylaniline
PubChem CID28665805
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C14H16BrNO/c1-2-3-11-4-6-12(7-5-11)16-10-13-8-9-14(15)17-13/h4-9,16H,2-3,10H2,1H3
InChIKeyXOCJLOXGCIFPSY-UHFFFAOYSA-N
XLogP4.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide
CID 60931388
2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720757
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43725286
N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline
CID 29295111
4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline
CID 107571841
4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934971
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine
CID 122651131
2-(4-propylanilino)ethanethiol
CID 115223632
N-[(5-bromofuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686632
N-[(5-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 54865011

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-propylaniline?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-propylaniline (CID 28665805) is N-[(5-bromofuran-2-yl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-4-propylaniline?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-4-propylaniline is CCCc1ccc(NCc2ccc(Br)o2)cc1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-4-propylaniline?
The InChIKey is XOCJLOXGCIFPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-2-3-11-4-6-12(7-5-11)16-10-13-8-9-14(15)17-13/h4-9,16H,2-3,10H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-4-propylaniline?
N-[(5-bromofuran-2-yl)methyl]-4-propylaniline has a molecular weight of 294.19 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-4-propylaniline is sourced from PubChem (CID 28665805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).