N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline

C19H17BrN2O — CID 124560954

IUPACN-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline
SMILESCc1ccc(N/N=C\c2ccc(-c3ccc(Br)cc3)o2)c(C)c1
InChIInChI=1S/C19H17BrN2O/c1-13-3-9-18(14(2)11-13)22-21-12-17-8-10-19(23-17)15-4-6-16(20)7-5-15/h3-12,22H,1-2H3/b21-12-
InChIKeySEMPUCRIJUHTGS-MTJSOVHGSA-N
MW369.26 g/mol
LogP5.77
Rot. Bonds4

About N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline

N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline (PubChem CID 124560954) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline
PubChem CID124560954
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC NameN-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline
SMILESCc1ccc(N/N=C\c2ccc(-c3ccc(Br)cc3)o2)c(C)c1
InChIInChI=1S/C19H17BrN2O/c1-13-3-9-18(14(2)11-13)22-21-12-17-8-10-19(23-17)15-4-6-16(20)7-5-15/h3-12,22H,1-2H3/b21-12-
InChIKeySEMPUCRIJUHTGS-MTJSOVHGSA-N
XLogP5.77
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline?
The IUPAC name of N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline (CID 124560954) is N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline.
What is the SMILES notation for N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline?
The canonical SMILES for N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline is Cc1ccc(N/N=C\c2ccc(-c3ccc(Br)cc3)o2)c(C)c1.
What is the InChIKey of N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline?
The InChIKey is SEMPUCRIJUHTGS-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H17BrN2O/c1-13-3-9-18(14(2)11-13)22-21-12-17-8-10-19(23-17)15-4-6-16(20)7-5-15/h3-12,22H,1-2H3/b21-12-.
What are the key properties of N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline?
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline has a molecular weight of 369.26 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4-dimethylaniline is sourced from PubChem (CID 124560954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).