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

C18H22BrNO — CID 79344064

IUPAC3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1ccc(-c2ccc(Br)cc2)o1)CNCC(C)C
InChIInChI=1S/C18H22BrNO/c1-13(2)11-20-12-14(3)10-17-8-9-18(21-17)15-4-6-16(19)7-5-15/h4-10,13,20H,11-12H2,1-3H3
InChIKeyINDFDMGKXAAOIA-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.36
Rot. Bonds6

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

3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (PubChem CID 79344064) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
PubChem CID79344064
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1ccc(-c2ccc(Br)cc2)o1)CNCC(C)C
InChIInChI=1S/C18H22BrNO/c1-13(2)11-20-12-14(3)10-17-8-9-18(21-17)15-4-6-16(19)7-5-15/h4-10,13,20H,11-12H2,1-3H3
InChIKeyINDFDMGKXAAOIA-UHFFFAOYSA-N
XLogP5.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine
CID 79341535
2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine
CID 79329162
2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
CID 2193450
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287
ethyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-methylprop-2-enoate
CID 104503771
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
CID 79328941
(1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol
CID 102192437
2-methyl-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-en-1-amine
CID 79340967
3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 113394143
3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 2866324
(E)-2-methyl-N-(2-methylpropyl)-3-(2,3,6-trichlorophenyl)prop-2-en-1-amine
CID 79337266

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (CID 79344064) is 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is CC(=Cc1ccc(-c2ccc(Br)cc2)o1)CNCC(C)C.
What is the InChIKey of 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The InChIKey is INDFDMGKXAAOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-13(2)11-20-12-14(3)10-17-8-9-18(21-17)15-4-6-16(19)7-5-15/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of 3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine has a molecular weight of 348.28 g/mol, XLogP of 5.36, 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-(2-methylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 79344064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).