N,N,3-trimethylaniline

C9H13N — CID 8488

IUPACN,N,3-trimethylaniline
SMILESCc1cccc(N(C)C)c1
InChIInChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
InChIKeyCWOMTHDOJCARBY-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.06
Rot. Bonds1

About N,N,3-trimethylaniline

N,N,3-trimethylaniline (PubChem CID 8488) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N,N,3-trimethylaniline.

Molecular Properties

Compound NameN,N,3-trimethylaniline
PubChem CID8488
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN,N,3-trimethylaniline
SMILESCc1cccc(N(C)C)c1
InChIInChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
InChIKeyCWOMTHDOJCARBY-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N,3-trimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylaniline?
The IUPAC name of N,N,3-trimethylaniline (CID 8488) is N,N,3-trimethylaniline.
What is the SMILES notation for N,N,3-trimethylaniline?
The canonical SMILES for N,N,3-trimethylaniline is Cc1cccc(N(C)C)c1.
What is the InChIKey of N,N,3-trimethylaniline?
The InChIKey is CWOMTHDOJCARBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3.
What are the key properties of N,N,3-trimethylaniline?
N,N,3-trimethylaniline has a molecular weight of 135.21 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylaniline is sourced from PubChem (CID 8488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).