N,N,2-trimethylaniline

C9H13N — CID 11869

IUPACN,N,2-trimethylaniline
SMILESCc1ccccc1N(C)C
InChIInChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3
InChIKeyJDEJGVSZUIJWBM-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.06
Rot. Bonds1

About N,N,2-trimethylaniline

N,N,2-trimethylaniline (PubChem CID 11869) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N,N,2-trimethylaniline.

Molecular Properties

Compound NameN,N,2-trimethylaniline
PubChem CID11869
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN,N,2-trimethylaniline
SMILESCc1ccccc1N(C)C
InChIInChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3
InChIKeyJDEJGVSZUIJWBM-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

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Related Compounds

N,N-Dimethylaniline
CID 949
Dimethyl-p-toluidine
CID 7471
Bis(p-(dimethylamino)phenyl)methane
CID 7567
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine
CID 5934
2-Ethylaniline
CID 11357
Trimethylphenylammonium iodide
CID 94135
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethylaniline?
The IUPAC name of N,N,2-trimethylaniline (CID 11869) is N,N,2-trimethylaniline.
What is the SMILES notation for N,N,2-trimethylaniline?
The canonical SMILES for N,N,2-trimethylaniline is Cc1ccccc1N(C)C.
What is the InChIKey of N,N,2-trimethylaniline?
The InChIKey is JDEJGVSZUIJWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3.
What are the key properties of N,N,2-trimethylaniline?
N,N,2-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,2-trimethylaniline is sourced from PubChem (CID 11869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).