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

C14H16BrNO — CID 62632359

IUPAC5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
SMILESCCC(Nc1cc(Br)ccc1C)c1ccco1
InChIInChI=1S/C14H16BrNO/c1-3-12(14-5-4-8-17-14)16-13-9-11(15)7-6-10(13)2/h4-9,12,16H,3H2,1-2H3
InChIKeyMASTXDVBEQIJRN-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.91
Rot. Bonds4

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

5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline (PubChem CID 62632359) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
PubChem CID62632359
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
SMILESCCC(Nc1cc(Br)ccc1C)c1ccco1
InChIInChI=1S/C14H16BrNO/c1-3-12(14-5-4-8-17-14)16-13-9-11(15)7-6-10(13)2/h4-9,12,16H,3H2,1-2H3
InChIKeyMASTXDVBEQIJRN-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
CID 81292021
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
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
3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62632723
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline
CID 82858067
N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029326
N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline
CID 63434581
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
5-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylaniline
CID 43787901

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline (CID 62632359) is 5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline is CCC(Nc1cc(Br)ccc1C)c1ccco1.
What is the InChIKey of 5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline?
The InChIKey is MASTXDVBEQIJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-3-12(14-5-4-8-17-14)16-13-9-11(15)7-6-10(13)2/h4-9,12,16H,3H2,1-2H3.
What are the key properties of 5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline?
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline has a molecular weight of 294.19 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline is sourced from PubChem (CID 62632359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).