2-(3-chlorophenyl)ethyl-methyl-methylideneazanium

C10H13ClN+ — CID 123695552

IUPAC2-(3-chlorophenyl)ethyl-methyl-methylideneazanium
SMILESC=[N+](C)CCc1cccc(Cl)c1
InChIInChI=1S/C10H13ClN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,1,6-7H2,2H3/q+1
InChIKeyUPKCJOKCHXGMCR-UHFFFAOYSA-N
MW182.67 g/mol
LogP2.23
Rot. Bonds3

About 2-(3-chlorophenyl)ethyl-methyl-methylideneazanium

2-(3-chlorophenyl)ethyl-methyl-methylideneazanium (PubChem CID 123695552) has the molecular formula C10H13ClN+ and a molecular weight of 182.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethyl-methyl-methylideneazanium.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethyl-methyl-methylideneazanium
PubChem CID123695552
Molecular FormulaC10H13ClN+
Molecular Weight182.67 g/mol
Exact Mass182.07
IUPAC Name2-(3-chlorophenyl)ethyl-methyl-methylideneazanium
SMILESC=[N+](C)CCc1cccc(Cl)c1
InChIInChI=1S/C10H13ClN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,1,6-7H2,2H3/q+1
InChIKeyUPKCJOKCHXGMCR-UHFFFAOYSA-N
XLogP2.23
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)ethyl-methylazanium
CID 42149679
1-chloro-3-octylbenzene
CID 11458768
magnesium;1-chloro-3-propylbenzene;bromide
CID 88733615
1-chloro-3-(3-fluoropropyl)benzene
CID 54201496
1-chloro-3-(3-methylidenehexyl)benzene
CID 142053887
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
1-chloro-3-(7-methyloctyl)benzene
CID 168947295
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
N-[3-(3-chlorophenyl)propoxy]methanamine
CID 117126890

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethyl-methyl-methylideneazanium?
The IUPAC name of 2-(3-chlorophenyl)ethyl-methyl-methylideneazanium (CID 123695552) is 2-(3-chlorophenyl)ethyl-methyl-methylideneazanium.
What is the SMILES notation for 2-(3-chlorophenyl)ethyl-methyl-methylideneazanium?
The canonical SMILES for 2-(3-chlorophenyl)ethyl-methyl-methylideneazanium is C=[N+](C)CCc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)ethyl-methyl-methylideneazanium?
The InChIKey is UPKCJOKCHXGMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,1,6-7H2,2H3/q+1.
What are the key properties of 2-(3-chlorophenyl)ethyl-methyl-methylideneazanium?
2-(3-chlorophenyl)ethyl-methyl-methylideneazanium has a molecular weight of 182.67 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethyl-methyl-methylideneazanium is sourced from PubChem (CID 123695552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).