3-(diethylaminomethyl)aniline

C11H18N2 — CID 3359246

IUPAC3-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1cccc(N)c1
InChIInChI=1S/C11H18N2/c1-3-13(4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9,12H2,1-2H3
InChIKeyVGVXOXSRINSIFO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.11
Rot. Bonds4

About 3-(diethylaminomethyl)aniline

3-(diethylaminomethyl)aniline (PubChem CID 3359246) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(diethylaminomethyl)aniline.

Molecular Properties

Compound Name3-(diethylaminomethyl)aniline
PubChem CID3359246
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1cccc(N)c1
InChIInChI=1S/C11H18N2/c1-3-13(4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9,12H2,1-2H3
InChIKeyVGVXOXSRINSIFO-UHFFFAOYSA-N
XLogP2.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

m-Toluidine
CID 7934
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N-Ethyl-N-benzylaniline
CID 7098
N-(3-Methylphenyl)aniline
CID 14569
3-Ethylaniline
CID 11475
N,N-dimethyl-m-toluidine
CID 8488
N,N-diethyl-m-toluidine
CID 66679
Benzylaniline
CID 66028
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)aniline?
The IUPAC name of 3-(diethylaminomethyl)aniline (CID 3359246) is 3-(diethylaminomethyl)aniline.
What is the SMILES notation for 3-(diethylaminomethyl)aniline?
The canonical SMILES for 3-(diethylaminomethyl)aniline is CCN(CC)Cc1cccc(N)c1.
What is the InChIKey of 3-(diethylaminomethyl)aniline?
The InChIKey is VGVXOXSRINSIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-13(4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9,12H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)aniline?
3-(diethylaminomethyl)aniline has a molecular weight of 178.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)aniline is sourced from PubChem (CID 3359246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).