3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol

C17H28N2O2 — CID 111119117

IUPAC3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol
SMILESCC(C)(C)C(O)CNCc1ccccc1N1CCOCC1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)16(20)13-18-12-14-6-4-5-7-15(14)19-8-10-21-11-9-19/h4-7,16,18,20H,8-13H2,1-3H3
InChIKeyRUMJERUAWGGKLH-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.02
Rot. Bonds5

About 3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol

3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol (PubChem CID 111119117) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol
PubChem CID111119117
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol
SMILESCC(C)(C)C(O)CNCc1ccccc1N1CCOCC1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)16(20)13-18-12-14-6-4-5-7-15(14)19-8-10-21-11-9-19/h4-7,16,18,20H,8-13H2,1-3H3
InChIKeyRUMJERUAWGGKLH-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110928639
2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol
CID 111118881
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
(1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine
CID 95177735
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 120509971
4-[[(2-morpholin-4-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962200
2-methyl-1-(2-morpholin-4-ylphenyl)propan-2-amine
CID 82620484
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol (CID 111119117) is 3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol is CC(C)(C)C(O)CNCc1ccccc1N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol?
The InChIKey is RUMJERUAWGGKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,3)16(20)13-18-12-14-6-4-5-7-15(14)19-8-10-21-11-9-19/h4-7,16,18,20H,8-13H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol?
3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 111119117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).