1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane

C14H23Cl2N — CID 161023887

IUPAC1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane
SMILESC=CN(C)C.CCC.Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2.C4H9N.C3H8/c1-5-2-3-6(8)7(9)4-5;1-4-5(2)3;1-3-2/h2-4H,1H3;4H,1H2,2-3H3;3H2,1-2H3
InChIKeyTYSRCVVEFXDZHM-UHFFFAOYSA-N
MW276.25 g/mol
LogP5.41
Rot. Bonds1

About 1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane

1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane (PubChem CID 161023887) has the molecular formula C14H23Cl2N and a molecular weight of 276.25 g/mol. Its IUPAC name is 1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane.

Molecular Properties

Compound Name1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane
PubChem CID161023887
Molecular FormulaC14H23Cl2N
Molecular Weight276.25 g/mol
Exact Mass275.12
IUPAC Name1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane
SMILESC=CN(C)C.CCC.Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2.C4H9N.C3H8/c1-5-2-3-6(8)7(9)4-5;1-4-5(2)3;1-3-2/h2-4H,1H3;4H,1H2,2-3H3;3H2,1-2H3
InChIKeyTYSRCVVEFXDZHM-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.25
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-4-methylbenzene;zinc
CID 174694337
1,2-dichloro-4-methylbenzene;1,3-xylene
CID 158244707
1-chloro-2-fluoro-4-methylbenzene;propane
CID 154658085
1-chloro-2-ethenyl-4-methylbenzene
CID 19377357
bis(1-chloro-2-methoxy-4-methylbenzene);ethene;propane
CID 158628534
2-chloro-N,N,4-trimethylaniline
CID 4099980
2,3-dichloro-6-methylnaphthalene
CID 21366530
2-chloro-4-methylaniline
CID 12007
1,2-dichloro-4-methylbenzene;5-ethyl-2,2,4-trimethyl-3H-pyran-6-one;prop-1-ene
CID 145005121
2-chloro-1,4-dimethylbenzene;propane;1,1,1-trifluoroethane
CID 142937628
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
2-chloro-4-methyl-N,N-dipropylaniline
CID 142078199

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane?
The IUPAC name of 1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane (CID 161023887) is 1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane.
What is the SMILES notation for 1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane?
The canonical SMILES for 1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane is C=CN(C)C.CCC.Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane?
The InChIKey is TYSRCVVEFXDZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2.C4H9N.C3H8/c1-5-2-3-6(8)7(9)4-5;1-4-5(2)3;1-3-2/h2-4H,1H3;4H,1H2,2-3H3;3H2,1-2H3.
What are the key properties of 1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane?
1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane has a molecular weight of 276.25 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane is sourced from PubChem (CID 161023887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).