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

C14H24N2O — CID 82037005

IUPAC4-[4-(diethylamino)butan-2-yloxy]aniline
SMILESCCN(CC)CCC(C)Oc1ccc(N)cc1
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)11-10-12(3)17-14-8-6-13(15)7-9-14/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyOLJGHSBTBUKJGF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.77
Rot. Bonds7

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

4-[4-(diethylamino)butan-2-yloxy]aniline (PubChem CID 82037005) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[4-(diethylamino)butan-2-yloxy]aniline.

Molecular Properties

Compound Name4-[4-(diethylamino)butan-2-yloxy]aniline
PubChem CID82037005
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[4-(diethylamino)butan-2-yloxy]aniline
SMILESCCN(CC)CCC(C)Oc1ccc(N)cc1
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)11-10-12(3)17-14-8-6-13(15)7-9-14/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyOLJGHSBTBUKJGF-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminobutan-2-yloxy)aniline
CID 156542424
4-butan-2-yloxyaniline
CID 13097722
4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 82037287
2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline
CID 82037228
N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine
CID 54803489
4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
CID 104501682
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
CID 79477986
4-(1-ethoxyethoxy)aniline
CID 139920192
4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
CID 113419964
4-(1,3-dimethoxypropan-2-yloxy)aniline
CID 129353732

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)butan-2-yloxy]aniline?
The IUPAC name of 4-[4-(diethylamino)butan-2-yloxy]aniline (CID 82037005) is 4-[4-(diethylamino)butan-2-yloxy]aniline.
What is the SMILES notation for 4-[4-(diethylamino)butan-2-yloxy]aniline?
The canonical SMILES for 4-[4-(diethylamino)butan-2-yloxy]aniline is CCN(CC)CCC(C)Oc1ccc(N)cc1.
What is the InChIKey of 4-[4-(diethylamino)butan-2-yloxy]aniline?
The InChIKey is OLJGHSBTBUKJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-16(5-2)11-10-12(3)17-14-8-6-13(15)7-9-14/h6-9,12H,4-5,10-11,15H2,1-3H3.
What are the key properties of 4-[4-(diethylamino)butan-2-yloxy]aniline?
4-[4-(diethylamino)butan-2-yloxy]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)butan-2-yloxy]aniline is sourced from PubChem (CID 82037005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).