3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline

C12H20N2 — CID 82645764

IUPAC3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(CCN(C)C)c1
InChIInChI=1S/C12H20N2/c1-9-7-11(5-6-14(3)4)10(2)12(13)8-9/h7-8H,5-6,13H2,1-4H3
InChIKeyXCBJYTMXIANUKP-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.99
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline

3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline (PubChem CID 82645764) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline
PubChem CID82645764
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(CCN(C)C)c1
InChIInChI=1S/C12H20N2/c1-9-7-11(5-6-14(3)4)10(2)12(13)8-9/h7-8H,5-6,13H2,1-4H3
InChIKeyXCBJYTMXIANUKP-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline (CID 82645764) is 3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline is Cc1cc(N)c(C)c(CCN(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline?
The InChIKey is XCBJYTMXIANUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-7-11(5-6-14(3)4)10(2)12(13)8-9/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline?
3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline has a molecular weight of 192.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2,5-dimethylaniline is sourced from PubChem (CID 82645764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).