4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde

C14H14BrNO2 — CID 43526378

IUPAC4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
SMILESCc1ccc(CN(C)c2cc(Br)ccc2C=O)o1
InChIInChI=1S/C14H14BrNO2/c1-10-3-6-13(18-10)8-16(2)14-7-12(15)5-4-11(14)9-17/h3-7,9H,8H2,1-2H3
InChIKeyIIFJRZGOJJIPNM-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.80
Rot. Bonds4

About 4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde

4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde (PubChem CID 43526378) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
PubChem CID43526378
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
SMILESCc1ccc(CN(C)c2cc(Br)ccc2C=O)o1
InChIInChI=1S/C14H14BrNO2/c1-10-3-6-13(18-10)8-16(2)14-7-12(15)5-4-11(14)9-17/h3-7,9H,8H2,1-2H3
InChIKeyIIFJRZGOJJIPNM-UHFFFAOYSA-N
XLogP3.80
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 114054145
2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 55038712
4-bromo-2-[methyl-[(2-methylphenyl)methyl]amino]benzaldehyde
CID 63534951
4-bromo-2-[(2-bromophenyl)methyl-methylamino]benzaldehyde
CID 63535972
4-bromo-2-[2-(dimethylamino)ethyl-methylamino]benzaldehyde
CID 63695233
4-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412218
4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde
CID 63535119
4-bromo-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzaldehyde
CID 63836409
4-bromo-2-[3-(dimethylamino)propyl-methylamino]benzaldehyde
CID 63695237
4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde
CID 61428831
5-[methyl-[(5-methylfuran-2-yl)methyl]amino]furan-2-carbaldehyde
CID 62120178

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
The IUPAC name of 4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde (CID 43526378) is 4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde.
What is the SMILES notation for 4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
The canonical SMILES for 4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde is Cc1ccc(CN(C)c2cc(Br)ccc2C=O)o1.
What is the InChIKey of 4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
The InChIKey is IIFJRZGOJJIPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-3-6-13(18-10)8-16(2)14-7-12(15)5-4-11(14)9-17/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde?
4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde has a molecular weight of 308.18 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde is sourced from PubChem (CID 43526378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).