4-[4-(diethylamino)butan-2-yl]aniline

C14H24N2 — CID 104501389

IUPAC4-[4-(diethylamino)butan-2-yl]aniline
SMILESCCN(CC)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-4-16(5-2)11-10-12(3)13-6-8-14(15)9-7-13/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyVDRHBEYZRKJWSH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.10
Rot. Bonds6

About 4-[4-(diethylamino)butan-2-yl]aniline

4-[4-(diethylamino)butan-2-yl]aniline (PubChem CID 104501389) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[4-(diethylamino)butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(diethylamino)butan-2-yl]aniline
PubChem CID104501389
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[4-(diethylamino)butan-2-yl]aniline
SMILESCCN(CC)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-4-16(5-2)11-10-12(3)13-6-8-14(15)9-7-13/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyVDRHBEYZRKJWSH-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.10
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

4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
CID 113419964
4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
CID 104501682
4-[1-[ethyl(propyl)amino]propan-2-yl]aniline
CID 57120163
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
4-[4-(diethylamino)butan-2-yloxy]aniline
CID 82037005
4-docosan-2-ylaniline
CID 22757336
N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane
CID 177197546
4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline
CID 113498668
4-[4-[propan-2-yl(prop-2-enyl)amino]butan-2-yl]aniline
CID 104501778
4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
CID 104501397

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)butan-2-yl]aniline?
The IUPAC name of 4-[4-(diethylamino)butan-2-yl]aniline (CID 104501389) is 4-[4-(diethylamino)butan-2-yl]aniline.
What is the SMILES notation for 4-[4-(diethylamino)butan-2-yl]aniline?
The canonical SMILES for 4-[4-(diethylamino)butan-2-yl]aniline is CCN(CC)CCC(C)c1ccc(N)cc1.
What is the InChIKey of 4-[4-(diethylamino)butan-2-yl]aniline?
The InChIKey is VDRHBEYZRKJWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-16(5-2)11-10-12(3)13-6-8-14(15)9-7-13/h6-9,12H,4-5,10-11,15H2,1-3H3.
What are the key properties of 4-[4-(diethylamino)butan-2-yl]aniline?
4-[4-(diethylamino)butan-2-yl]aniline has a molecular weight of 220.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)butan-2-yl]aniline is sourced from PubChem (CID 104501389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).