4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline

C17H28N2O — CID 158025581

IUPAC4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCN(CCN1CCOCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)15-5-7-16(8-6-15)18(4)9-10-19-11-13-20-14-12-19/h5-8H,9-14H2,1-4H3
InChIKeyULGNKDXNNOYYDD-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.75
Rot. Bonds4

About 4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline

4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 158025581) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
PubChem CID158025581
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCN(CCN1CCOCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)15-5-7-16(8-6-15)18(4)9-10-19-11-13-20-14-12-19/h5-8H,9-14H2,1-4H3
InChIKeyULGNKDXNNOYYDD-UHFFFAOYSA-N
XLogP2.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 123906232
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 21030135
N-methyl-3-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-nitroaniline
CID 133401118
N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline
CID 173013317
N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine
CID 121230567
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160686
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42706400
1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
CID 134093965
2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 75422017

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline (CID 158025581) is 4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline is CN(CCN1CCOCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is ULGNKDXNNOYYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)15-5-7-16(8-6-15)18(4)9-10-19-11-13-20-14-12-19/h5-8H,9-14H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline?
4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 276.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 158025581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).