2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine

C18H22BrNO — CID 79329162

IUPAC2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1ccc(-c2ccc(Br)cc2)o1)CNC(C)C
InChIInChI=1S/C18H22BrNO/c1-4-14(12-20-13(2)3)11-17-9-10-18(21-17)15-5-7-16(19)8-6-15/h5-11,13,20H,4,12H2,1-3H3
InChIKeyKECYERSHLUFFGM-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.50
Rot. Bonds6

About 2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine

2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 79329162) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID79329162
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1ccc(-c2ccc(Br)cc2)o1)CNC(C)C
InChIInChI=1S/C18H22BrNO/c1-4-14(12-20-13(2)3)11-17-9-10-18(21-17)15-5-7-16(19)8-6-15/h5-11,13,20H,4,12H2,1-3H3
InChIKeyKECYERSHLUFFGM-UHFFFAOYSA-N
XLogP5.50
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 ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine
CID 79341535
N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine
CID 79329173
ethyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-methylprop-2-enoate
CID 104503771
N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
CID 79328941
2-(furan-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79329909
2-benzylidene-N-propan-2-ylbutan-1-amine
CID 79329110
2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
CID 2193450
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N,N-diethylprop-2-enamide
CID 1050401
5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde
CID 169332974
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine (CID 79329162) is 2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine is CCC(=Cc1ccc(-c2ccc(Br)cc2)o1)CNC(C)C.
What is the InChIKey of 2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is KECYERSHLUFFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-14(12-20-13(2)3)11-17-9-10-18(21-17)15-5-7-16(19)8-6-15/h5-11,13,20H,4,12H2,1-3H3.
What are the key properties of 2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine?
2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79329162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).