4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline

C11H13BrN2 — CID 144999092

IUPAC4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline
SMILESC=CN(/N=C\C)c1ccc(CBr)cc1
InChIInChI=1S/C11H13BrN2/c1-3-13-14(4-2)11-7-5-10(9-12)6-8-11/h3-8H,2,9H2,1H3/b13-3-
InChIKeyASSYHPVKYPTOHC-DXNYSGJVSA-N
MW253.14 g/mol
LogP3.54
Rot. Bonds4

About 4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline

4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline (PubChem CID 144999092) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline.

Molecular Properties

Compound Name4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline
PubChem CID144999092
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline
SMILESC=CN(/N=C\C)c1ccc(CBr)cc1
InChIInChI=1S/C11H13BrN2/c1-3-13-14(4-2)11-7-5-10(9-12)6-8-11/h3-8H,2,9H2,1H3/b13-3-
InChIKeyASSYHPVKYPTOHC-DXNYSGJVSA-N
XLogP3.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline?
The IUPAC name of 4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline (CID 144999092) is 4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline.
What is the SMILES notation for 4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline?
The canonical SMILES for 4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline is C=CN(/N=C\C)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline?
The InChIKey is ASSYHPVKYPTOHC-DXNYSGJVSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-3-13-14(4-2)11-7-5-10(9-12)6-8-11/h3-8H,2,9H2,1H3/b13-3-.
What are the key properties of 4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline?
4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline has a molecular weight of 253.14 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-ethenyl-N-[(Z)-ethylideneamino]aniline is sourced from PubChem (CID 144999092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).