3-[2-(dimethylamino)ethyl]aniline

C10H16N2 — CID 28720801

IUPAC3-[2-(dimethylamino)ethyl]aniline
SMILESCN(C)CCc1cccc(N)c1
InChIInChI=1S/C10H16N2/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7,11H2,1-2H3
InChIKeyUBLWMJYFIKZUAC-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.37
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]aniline

3-[2-(dimethylamino)ethyl]aniline (PubChem CID 28720801) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]aniline
PubChem CID28720801
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-[2-(dimethylamino)ethyl]aniline
SMILESCN(C)CCc1cccc(N)c1
InChIInChI=1S/C10H16N2/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7,11H2,1-2H3
InChIKeyUBLWMJYFIKZUAC-UHFFFAOYSA-N
XLogP1.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.37
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

N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65347754
3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
CID 65350312
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 43460249
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
ethane;3-propylaniline;vanadium
CID 143596420
3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105421343
3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline
CID 65347606
N-[2-(3-aminophenyl)ethyl]-N-methylthiolan-3-amine
CID 65350362
3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
CID 115341872
3-[2-(N-ethyl-4-methylanilino)ethyl]aniline
CID 65347516
3-N-[2-(3-bromophenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041027

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]aniline?
The IUPAC name of 3-[2-(dimethylamino)ethyl]aniline (CID 28720801) is 3-[2-(dimethylamino)ethyl]aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]aniline is CN(C)CCc1cccc(N)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]aniline?
The InChIKey is UBLWMJYFIKZUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7,11H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]aniline?
3-[2-(dimethylamino)ethyl]aniline has a molecular weight of 164.25 g/mol, XLogP of 1.37, 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]aniline is sourced from PubChem (CID 28720801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).