4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline

C15H18BrNO — CID 81292021

IUPAC4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
SMILESCCc1cc(Br)ccc1NC(CC)c1ccco1
InChIInChI=1S/C15H18BrNO/c1-3-11-10-12(16)7-8-14(11)17-13(4-2)15-6-5-9-18-15/h5-10,13,17H,3-4H2,1-2H3
InChIKeyGCSZVRUODNMOOY-UHFFFAOYSA-N
MW308.22 g/mol
LogP5.17
Rot. Bonds5

About 4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline

4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline (PubChem CID 81292021) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
PubChem CID81292021
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
SMILESCCc1cc(Br)ccc1NC(CC)c1ccco1
InChIInChI=1S/C15H18BrNO/c1-3-11-10-12(16)7-8-14(11)17-13(4-2)15-6-5-9-18-15/h5-10,13,17H,3-4H2,1-2H3
InChIKeyGCSZVRUODNMOOY-UHFFFAOYSA-N
XLogP5.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.22
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359
4-bromo-N-[1-(furan-2-yl)propyl]-2-(trifluoromethyl)aniline
CID 63450598
3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62632723
5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
CID 114051949
2-[2-[1-(furan-2-yl)propylamino]phenyl]acetamide
CID 62632896
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62631645
N-[1-(furan-2-yl)propyl]-2-(methoxymethyl)aniline
CID 62631803
N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline
CID 63434581
3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292
N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 62699285
2-fluoro-N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62631841

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline?
The IUPAC name of 4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline (CID 81292021) is 4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline is CCc1cc(Br)ccc1NC(CC)c1ccco1.
What is the InChIKey of 4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline?
The InChIKey is GCSZVRUODNMOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-11-10-12(16)7-8-14(11)17-13(4-2)15-6-5-9-18-15/h5-10,13,17H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline?
4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline has a molecular weight of 308.22 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline is sourced from PubChem (CID 81292021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).