3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine

C14H14BrClN2O2 — CID 23736044

IUPAC3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine
SMILESCOc1ccc(/N=C/c2cc(Br)c(N(C)C)o2)cc1Cl
InChIInChI=1S/C14H14BrClN2O2/c1-18(2)14-11(15)7-10(20-14)8-17-9-4-5-13(19-3)12(16)6-9/h4-8H,1-3H3/b17-8+
InChIKeyAYZBPYPAQUTQKI-CAOOACKPSA-N
MW357.64 g/mol
LogP4.52
Rot. Bonds4

About 3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine

3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine (PubChem CID 23736044) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine.

Molecular Properties

Compound Name3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine
PubChem CID23736044
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine
SMILESCOc1ccc(/N=C/c2cc(Br)c(N(C)C)o2)cc1Cl
InChIInChI=1S/C14H14BrClN2O2/c1-18(2)14-11(15)7-10(20-14)8-17-9-4-5-13(19-3)12(16)6-9/h4-8H,1-3H3/b17-8+
InChIKeyAYZBPYPAQUTQKI-CAOOACKPSA-N
XLogP4.52
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine?
The IUPAC name of 3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine (CID 23736044) is 3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine.
What is the SMILES notation for 3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine?
The canonical SMILES for 3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine is COc1ccc(/N=C/c2cc(Br)c(N(C)C)o2)cc1Cl.
What is the InChIKey of 3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine?
The InChIKey is AYZBPYPAQUTQKI-CAOOACKPSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-18(2)14-11(15)7-10(20-14)8-17-9-4-5-13(19-3)12(16)6-9/h4-8H,1-3H3/b17-8+.
What are the key properties of 3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine?
3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine has a molecular weight of 357.64 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3-chloro-4-methoxyphenyl)iminomethyl]-N,N-dimethylfuran-2-amine is sourced from PubChem (CID 23736044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).