ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene

C23H39N — CID 159036477

IUPACethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene
SMILESCC.CC.CCN(C)c1ccccc1C.CCc1ccccc1C
InChIInChI=1S/C10H15N.C9H12.2C2H6/c1-4-11(3)10-8-6-5-7-9(10)2;1-3-9-7-5-4-6-8(9)2;2*1-2/h5-8H,4H2,1-3H3;4-7H,3H2,1-2H3;2*1-2H3
InChIKeyJVNCLCSPNDUOMT-UHFFFAOYSA-N
MW329.57 g/mol
LogP7.06
Rot. Bonds3

About ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene

ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene (PubChem CID 159036477) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene.

Molecular Properties

Compound Nameethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene
PubChem CID159036477
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Nameethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene
SMILESCC.CC.CCN(C)c1ccccc1C.CCc1ccccc1C
InChIInChI=1S/C10H15N.C9H12.2C2H6/c1-4-11(3)10-8-6-5-7-9(10)2;1-3-9-7-5-4-6-8(9)2;2*1-2/h5-8H,4H2,1-3H3;4-7H,3H2,1-2H3;2*1-2H3
InChIKeyJVNCLCSPNDUOMT-UHFFFAOYSA-N
XLogP7.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene?
The IUPAC name of ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene (CID 159036477) is ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene.
What is the SMILES notation for ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene?
The canonical SMILES for ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene is CC.CC.CCN(C)c1ccccc1C.CCc1ccccc1C.
What is the InChIKey of ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene?
The InChIKey is JVNCLCSPNDUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H12.2C2H6/c1-4-11(3)10-8-6-5-7-9(10)2;1-3-9-7-5-4-6-8(9)2;2*1-2/h5-8H,4H2,1-3H3;4-7H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene?
ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene has a molecular weight of 329.57 g/mol, XLogP of 7.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,2-dimethylaniline;1-ethyl-2-methylbenzene is sourced from PubChem (CID 159036477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).