1-(4-bromophenyl)-N-prop-2-ynylmethanimine

C10H8BrN — CID 18915497

IUPAC1-(4-bromophenyl)-N-prop-2-ynylmethanimine
SMILESC#CC/N=C/c1ccc(Br)cc1
InChIInChI=1S/C10H8BrN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h1,3-6,8H,7H2/b12-8+
InChIKeyIQBPYWGVKMGPOE-XYOKQWHBSA-N
MW222.09 g/mol
LogP2.50
Rot. Bonds2

About 1-(4-bromophenyl)-N-prop-2-ynylmethanimine

1-(4-bromophenyl)-N-prop-2-ynylmethanimine (PubChem CID 18915497) has the molecular formula C10H8BrN and a molecular weight of 222.09 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-prop-2-ynylmethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-prop-2-ynylmethanimine
PubChem CID18915497
Molecular FormulaC10H8BrN
Molecular Weight222.09 g/mol
Exact Mass220.98
IUPAC Name1-(4-bromophenyl)-N-prop-2-ynylmethanimine
SMILESC#CC/N=C/c1ccc(Br)cc1
InChIInChI=1S/C10H8BrN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h1,3-6,8H,7H2/b12-8+
InChIKeyIQBPYWGVKMGPOE-XYOKQWHBSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-N-prop-2-ynylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-prop-2-ynylmethanimine
CID 4172560
2-[(4-bromophenyl)methylideneamino]ethanamine
CID 141259105
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
1-(4-bromophenyl)-N-(cyclopropylmethyl)methanimine
CID 155686060
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
(E)-(4-bromophenyl)methylidenehydrazine
CID 5325577
N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine
CID 19927073
1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine
CID 18915525
ethyl 2-[(4-bromophenyl)methylideneamino]acetate
CID 10492236
1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine
CID 3771816
3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one
CID 67666584
4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
CID 135891453

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-prop-2-ynylmethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-prop-2-ynylmethanimine (CID 18915497) is 1-(4-bromophenyl)-N-prop-2-ynylmethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-prop-2-ynylmethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-prop-2-ynylmethanimine is C#CC/N=C/c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-prop-2-ynylmethanimine?
The InChIKey is IQBPYWGVKMGPOE-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H8BrN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h1,3-6,8H,7H2/b12-8+.
What are the key properties of 1-(4-bromophenyl)-N-prop-2-ynylmethanimine?
1-(4-bromophenyl)-N-prop-2-ynylmethanimine has a molecular weight of 222.09 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-prop-2-ynylmethanimine is sourced from PubChem (CID 18915497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).