N,4-dimethylaniline;1-ethenyl-3-methylbenzene

C17H21N — CID 142013646

IUPACN,4-dimethylaniline;1-ethenyl-3-methylbenzene
SMILESC=Cc1cccc(C)c1.CNc1ccc(C)cc1
InChIInChI=1S/C9H10.C8H11N/c1-3-9-6-4-5-8(2)7-9;1-7-3-5-8(9-2)6-4-7/h3-7H,1H2,2H3;3-6,9H,1-2H3
InChIKeyDQNWYTGCBRPPBM-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.67
Rot. Bonds2

About N,4-dimethylaniline;1-ethenyl-3-methylbenzene

N,4-dimethylaniline;1-ethenyl-3-methylbenzene (PubChem CID 142013646) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N,4-dimethylaniline;1-ethenyl-3-methylbenzene.

Molecular Properties

Compound NameN,4-dimethylaniline;1-ethenyl-3-methylbenzene
PubChem CID142013646
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN,4-dimethylaniline;1-ethenyl-3-methylbenzene
SMILESC=Cc1cccc(C)c1.CNc1ccc(C)cc1
InChIInChI=1S/C9H10.C8H11N/c1-3-9-6-4-5-8(2)7-9;1-7-3-5-8(9-2)6-4-7/h3-7H,1H2,2H3;3-6,9H,1-2H3
InChIKeyDQNWYTGCBRPPBM-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethylaniline;1-ethenyl-3-methylbenzene?
The IUPAC name of N,4-dimethylaniline;1-ethenyl-3-methylbenzene (CID 142013646) is N,4-dimethylaniline;1-ethenyl-3-methylbenzene.
What is the SMILES notation for N,4-dimethylaniline;1-ethenyl-3-methylbenzene?
The canonical SMILES for N,4-dimethylaniline;1-ethenyl-3-methylbenzene is C=Cc1cccc(C)c1.CNc1ccc(C)cc1.
What is the InChIKey of N,4-dimethylaniline;1-ethenyl-3-methylbenzene?
The InChIKey is DQNWYTGCBRPPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H11N/c1-3-9-6-4-5-8(2)7-9;1-7-3-5-8(9-2)6-4-7/h3-7H,1H2,2H3;3-6,9H,1-2H3.
What are the key properties of N,4-dimethylaniline;1-ethenyl-3-methylbenzene?
N,4-dimethylaniline;1-ethenyl-3-methylbenzene has a molecular weight of 239.36 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylaniline;1-ethenyl-3-methylbenzene is sourced from PubChem (CID 142013646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).