3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline

C17H30N2O2Si — CID 137328668

IUPAC3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline
SMILESCC(C)(C)[SiH2]OC(C)(C)c1cc(N)ccc1N1CCOCC1
InChIInChI=1S/C17H30N2O2Si/c1-16(2,3)22-21-17(4,5)14-12-13(18)6-7-15(14)19-8-10-20-11-9-19/h6-7,12H,8-11,18,22H2,1-5H3
InChIKeyTYPJYIBILMPNEK-UHFFFAOYSA-N
MW322.53 g/mol
LogP2.66
Rot. Bonds4

About 3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline

3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline (PubChem CID 137328668) has the molecular formula C17H30N2O2Si and a molecular weight of 322.53 g/mol. Its IUPAC name is 3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline
PubChem CID137328668
Molecular FormulaC17H30N2O2Si
Molecular Weight322.53 g/mol
Exact Mass322.21
IUPAC Name3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline
SMILESCC(C)(C)[SiH2]OC(C)(C)c1cc(N)ccc1N1CCOCC1
InChIInChI=1S/C17H30N2O2Si/c1-16(2,3)22-21-17(4,5)14-12-13(18)6-7-15(14)19-8-10-20-11-9-19/h6-7,12H,8-11,18,22H2,1-5H3
InChIKeyTYPJYIBILMPNEK-UHFFFAOYSA-N
XLogP2.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-morpholin-4-ylaniline
CID 10607787
4-(2,4-ditert-butylphenyl)morpholine
CID 59709213
3-(difluoromethoxy)-4-morpholin-4-ylaniline
CID 90104676
5-amino-2-morpholin-4-yl-N-propylbenzamide
CID 100651619
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
CID 158409695
CID 158409695
1-(4-amino-2-morpholin-4-ylphenyl)ethanone
CID 134460637
2-(5-fluoro-2-morpholin-4-ylphenyl)propan-2-ol
CID 117350892
5-methyl-2-morpholin-4-ylaniline
CID 18952141
tert-butyl 3-amino-4-morpholin-4-ylbenzoate
CID 118548695
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307
4-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-(trifluoromethyl)aniline
CID 59864170

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline?
The IUPAC name of 3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline (CID 137328668) is 3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline.
What is the SMILES notation for 3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline?
The canonical SMILES for 3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline is CC(C)(C)[SiH2]OC(C)(C)c1cc(N)ccc1N1CCOCC1.
What is the InChIKey of 3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline?
The InChIKey is TYPJYIBILMPNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2Si/c1-16(2,3)22-21-17(4,5)14-12-13(18)6-7-15(14)19-8-10-20-11-9-19/h6-7,12H,8-11,18,22H2,1-5H3.
What are the key properties of 3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline?
3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline has a molecular weight of 322.53 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline is sourced from PubChem (CID 137328668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).