N,2,5-trimethylaniline

C9H13N — CID 14918440

IUPACN,2,5-trimethylaniline
SMILESCNc1cc(C)ccc1C
InChIInChI=1S/C9H13N/c1-7-4-5-8(2)9(6-7)10-3/h4-6,10H,1-3H3
InChIKeyFLLXIDNFXBLBMT-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.35
Rot. Bonds1

About N,2,5-trimethylaniline

N,2,5-trimethylaniline (PubChem CID 14918440) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N,2,5-trimethylaniline.

Molecular Properties

Compound NameN,2,5-trimethylaniline
PubChem CID14918440
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN,2,5-trimethylaniline
SMILESCNc1cc(C)ccc1C
InChIInChI=1S/C9H13N/c1-7-4-5-8(2)9(6-7)10-3/h4-6,10H,1-3H3
InChIKeyFLLXIDNFXBLBMT-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethylaniline?
The IUPAC name of N,2,5-trimethylaniline (CID 14918440) is N,2,5-trimethylaniline.
What is the SMILES notation for N,2,5-trimethylaniline?
The canonical SMILES for N,2,5-trimethylaniline is CNc1cc(C)ccc1C.
What is the InChIKey of N,2,5-trimethylaniline?
The InChIKey is FLLXIDNFXBLBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-4-5-8(2)9(6-7)10-3/h4-6,10H,1-3H3.
What are the key properties of N,2,5-trimethylaniline?
N,2,5-trimethylaniline has a molecular weight of 135.21 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethylaniline is sourced from PubChem (CID 14918440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).