azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene

C13H18ClN — CID 130386839

IUPACazane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene
SMILESC=CCc1cccc(CCl)c1CC=C.N
InChIInChI=1S/C13H15Cl.H3N/c1-3-6-11-8-5-9-12(10-14)13(11)7-4-2;/h3-5,8-9H,1-2,6-7,10H2;1H3
InChIKeyUEGNOZHJOOMZCC-UHFFFAOYSA-N
MW223.75 g/mol
LogP4.04
Rot. Bonds5

About azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene

azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene (PubChem CID 130386839) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene.

Molecular Properties

Compound Nameazane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene
PubChem CID130386839
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Nameazane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene
SMILESC=CCc1cccc(CCl)c1CC=C.N
InChIInChI=1S/C13H15Cl.H3N/c1-3-6-11-8-5-9-12(10-14)13(11)7-4-2;/h3-5,8-9H,1-2,6-7,10H2;1H3
InChIKeyUEGNOZHJOOMZCC-UHFFFAOYSA-N
XLogP4.04
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene
CID 70536886
azane;1-(chloromethyl)-3,4-dimethyl-2-prop-2-enylbenzene
CID 68825933
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
2,3-bis(prop-2-enyl)benzoyl chloride
CID 87350245
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054
2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol
CID 70357054
bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite
CID 66971419
3-prop-2-enyl-2-propylphenol
CID 139705767
2,6-bis(prop-2-enyl)benzonitrile
CID 67300787
5-prop-2-enylnaphthalen-1-ol
CID 139534699
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534

Frequently Asked Questions

What is the IUPAC name of azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene?
The IUPAC name of azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene (CID 130386839) is azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene.
What is the SMILES notation for azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene?
The canonical SMILES for azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene is C=CCc1cccc(CCl)c1CC=C.N.
What is the InChIKey of azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene?
The InChIKey is UEGNOZHJOOMZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl.H3N/c1-3-6-11-8-5-9-12(10-14)13(11)7-4-2;/h3-5,8-9H,1-2,6-7,10H2;1H3.
What are the key properties of azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene?
azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene has a molecular weight of 223.75 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene is sourced from PubChem (CID 130386839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).