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

C15H26N2O — CID 82037228

IUPAC2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline
SMILESCCN(CC)CCC(C)Oc1cc(C)ccc1N
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)10-9-13(4)18-15-11-12(3)7-8-14(15)16/h7-8,11,13H,5-6,9-10,16H2,1-4H3
InChIKeyFZPZXYDUPGULRU-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.08
Rot. Bonds7

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

2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline (PubChem CID 82037228) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline.

Molecular Properties

Compound Name2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline
PubChem CID82037228
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline
SMILESCCN(CC)CCC(C)Oc1cc(C)ccc1N
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)10-9-13(4)18-15-11-12(3)7-8-14(15)16/h7-8,11,13H,5-6,9-10,16H2,1-4H3
InChIKeyFZPZXYDUPGULRU-UHFFFAOYSA-N
XLogP3.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-pentan-2-yloxyaniline
CID 102980406
4-[4-(diethylamino)butan-2-yloxy]aniline
CID 82037005
ethyl 2-(2-amino-5-methylphenoxy)pentanoate
CID 83034439
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107891054
3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 82037287
2-(ethoxymethoxy)-4-methylaniline
CID 65365090
3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
CID 57266754
4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide
CID 102980332
4-[2-chloro-4-[[3-chloro-4-[5-(diethylamino)pentan-2-yloxy]phenyl]methyl]phenoxy]-N,N-diethylpentan-1-amine
CID 58806963
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
4-methyl-2-propoxyaniline
CID 24698653

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline?
The IUPAC name of 2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline (CID 82037228) is 2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline.
What is the SMILES notation for 2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline?
The canonical SMILES for 2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline is CCN(CC)CCC(C)Oc1cc(C)ccc1N.
What is the InChIKey of 2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline?
The InChIKey is FZPZXYDUPGULRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(6-2)10-9-13(4)18-15-11-12(3)7-8-14(15)16/h7-8,11,13H,5-6,9-10,16H2,1-4H3.
What are the key properties of 2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline?
2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline has a molecular weight of 250.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline is sourced from PubChem (CID 82037228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).