4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol

C17H19BrN2O — CID 681280

IUPAC4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-20(4-2)16-8-6-15(7-9-16)19-12-13-11-14(18)5-10-17(13)21/h5-12,21H,3-4H2,1-2H3/b19-12+
InChIKeyBVSCZWKUKSCRLK-XDHOZWIPSA-N
MW347.26 g/mol
LogP4.75
Rot. Bonds5

About 4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol

4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol (PubChem CID 681280) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol
PubChem CID681280
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-20(4-2)16-8-6-15(7-9-16)19-12-13-11-14(18)5-10-17(13)21/h5-12,21H,3-4H2,1-2H3/b19-12+
InChIKeyBVSCZWKUKSCRLK-XDHOZWIPSA-N
XLogP4.75
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol (CID 681280) is 4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol is CCN(CC)c1ccc(/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol?
The InChIKey is BVSCZWKUKSCRLK-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-20(4-2)16-8-6-15(7-9-16)19-12-13-11-14(18)5-10-17(13)21/h5-12,21H,3-4H2,1-2H3/b19-12+.
What are the key properties of 4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol?
4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol has a molecular weight of 347.26 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[4-(diethylamino)phenyl]iminomethyl]phenol is sourced from PubChem (CID 681280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).