3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine

C17H20BrNO — CID 79341535

IUPAC3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H20BrNO/c1-3-10-19-12-13(2)11-16-8-9-17(20-16)14-4-6-15(18)7-5-14/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyNUAKGOYABUAHBQ-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.11
Rot. Bonds6

About 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine

3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 79341535) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine
PubChem CID79341535
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H20BrNO/c1-3-10-19-12-13(2)11-16-8-9-17(20-16)14-4-6-15(18)7-5-14/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyNUAKGOYABUAHBQ-UHFFFAOYSA-N
XLogP5.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344064
2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine
CID 79329162
ethyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-methylprop-2-enoate
CID 104503771
2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
CID 2193450
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N,N-diethylprop-2-enamide
CID 1050401
butyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate
CID 5292135
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 2866324
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enethioamide
CID 772459
N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 34318326

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine (CID 79341535) is 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine is CCCNCC(C)=Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is NUAKGOYABUAHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-10-19-12-13(2)11-16-8-9-17(20-16)14-4-6-15(18)7-5-14/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine?
3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 334.26 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79341535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).