4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline

C17H28N2O — CID 104501614

IUPAC4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline
SMILESCC1CN(CCC(C)c2ccc(N)cc2)CC(C)(C)O1
InChIInChI=1S/C17H28N2O/c1-13(15-5-7-16(18)8-6-15)9-10-19-11-14(2)20-17(3,4)12-19/h5-8,13-14H,9-12,18H2,1-4H3
InChIKeyNJSOOAAJMMNGLI-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.26
Rot. Bonds4

About 4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline

4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline (PubChem CID 104501614) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline
PubChem CID104501614
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline
SMILESCC1CN(CCC(C)c2ccc(N)cc2)CC(C)(C)O1
InChIInChI=1S/C17H28N2O/c1-13(15-5-7-16(18)8-6-15)9-10-19-11-14(2)20-17(3,4)12-19/h5-8,13-14H,9-12,18H2,1-4H3
InChIKeyNJSOOAAJMMNGLI-UHFFFAOYSA-N
XLogP3.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.26
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

1-(4-fluorophenyl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 62629822
4-[4-(3,3-diethylpyrrolidin-1-yl)butan-2-yl]aniline
CID 104501748
4-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-yl]aniline
CID 104501664
4-[4-(1,4-oxazepan-4-yl)butan-2-yl]aniline
CID 113419983
4-[4-(4-methyl-1,4-diazepan-1-yl)butan-2-yl]aniline
CID 104501420
1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
CID 48632369
1-(2-aminophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
CID 62266500
6-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 79243466
4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
CID 106314952
4-methyl-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pentan-1-amine
CID 62555294
4-[4-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]aniline
CID 104501653
4-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-yl]aniline
CID 102726897

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline?
The IUPAC name of 4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline (CID 104501614) is 4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline.
What is the SMILES notation for 4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline?
The canonical SMILES for 4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline is CC1CN(CCC(C)c2ccc(N)cc2)CC(C)(C)O1.
What is the InChIKey of 4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline?
The InChIKey is NJSOOAAJMMNGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(15-5-7-16(18)8-6-15)9-10-19-11-14(2)20-17(3,4)12-19/h5-8,13-14H,9-12,18H2,1-4H3.
What are the key properties of 4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline?
4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline has a molecular weight of 276.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]aniline is sourced from PubChem (CID 104501614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).