azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene

C11H18ClN — CID 66619297

IUPACazane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene
SMILESCCc1ccc(CCl)c(C)c1C.N
InChIInChI=1S/C11H15Cl.H3N/c1-4-10-5-6-11(7-12)9(3)8(10)2;/h5-6H,4,7H2,1-3H3;1H3
InChIKeyICLRFUBWQWKDNA-UHFFFAOYSA-N
MW199.72 g/mol
LogP3.77
Rot. Bonds2

About azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene

azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene (PubChem CID 66619297) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene.

Molecular Properties

Compound Nameazane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene
PubChem CID66619297
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Nameazane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene
SMILESCCc1ccc(CCl)c(C)c1C.N
InChIInChI=1S/C11H15Cl.H3N/c1-4-10-5-6-11(7-12)9(3)8(10)2;/h5-6H,4,7H2,1-3H3;1H3
InChIKeyICLRFUBWQWKDNA-UHFFFAOYSA-N
XLogP3.77
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;1-(chloromethyl)-2,3-dimethyl-4-octylbenzene
CID 67829862
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
1-(chloromethyl)-2-ethylbenzene
CID 524243
3-chloro-1-ethyl-2,4-dimethylbenzene
CID 141381436
1-(chloromethyl)-3-fluoro-2,4-dimethylbenzene
CID 67280015
1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
4-(chloromethyl)-3-ethylbenzonitrile
CID 91883782
ethyl 2-[3-(chloromethyl)-2,6-dimethylphenyl]acetate
CID 171019746
1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene
CID 174819703
1-(chloromethyl)-2,4-dimethyl-3-nitrobenzene
CID 13265345
azane;1-(chloromethyl)-3,4-dimethyl-2-octylbenzene
CID 66778817

Frequently Asked Questions

What is the IUPAC name of azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene?
The IUPAC name of azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene (CID 66619297) is azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene.
What is the SMILES notation for azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene?
The canonical SMILES for azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene is CCc1ccc(CCl)c(C)c1C.N.
What is the InChIKey of azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene?
The InChIKey is ICLRFUBWQWKDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl.H3N/c1-4-10-5-6-11(7-12)9(3)8(10)2;/h5-6H,4,7H2,1-3H3;1H3.
What are the key properties of azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene?
azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene has a molecular weight of 199.72 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene is sourced from PubChem (CID 66619297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).