3-(3,4-dimethylphenyl)-N,2-dimethylaniline

C16H19N — CID 123724785

IUPAC3-(3,4-dimethylphenyl)-N,2-dimethylaniline
SMILESCNc1cccc(-c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C16H19N/c1-11-8-9-14(10-12(11)2)15-6-5-7-16(17-4)13(15)3/h5-10,17H,1-4H3
InChIKeyVJWFOYVDHDDBGO-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.32
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-N,2-dimethylaniline

3-(3,4-dimethylphenyl)-N,2-dimethylaniline (PubChem CID 123724785) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N,2-dimethylaniline
PubChem CID123724785
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name3-(3,4-dimethylphenyl)-N,2-dimethylaniline
SMILESCNc1cccc(-c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C16H19N/c1-11-8-9-14(10-12(11)2)15-6-5-7-16(17-4)13(15)3/h5-10,17H,1-4H3
InChIKeyVJWFOYVDHDDBGO-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N,2-dimethylaniline?
The IUPAC name of 3-(3,4-dimethylphenyl)-N,2-dimethylaniline (CID 123724785) is 3-(3,4-dimethylphenyl)-N,2-dimethylaniline.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N,2-dimethylaniline?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N,2-dimethylaniline is CNc1cccc(-c2ccc(C)c(C)c2)c1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N,2-dimethylaniline?
The InChIKey is VJWFOYVDHDDBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-11-8-9-14(10-12(11)2)15-6-5-7-16(17-4)13(15)3/h5-10,17H,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-N,2-dimethylaniline?
3-(3,4-dimethylphenyl)-N,2-dimethylaniline has a molecular weight of 225.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N,2-dimethylaniline is sourced from PubChem (CID 123724785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).