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

C18H30N2O2 — CID 111118881

IUPAC2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1ccccc1N1CCOCC1
InChIInChI=1S/C18H30N2O2/c1-4-15(2)18(3,21)14-19-13-16-7-5-6-8-17(16)20-9-11-22-12-10-20/h5-8,15,19,21H,4,9-14H2,1-3H3
InChIKeyCKUCJMYIGNOJID-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.41
Rot. Bonds7

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

2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol (PubChem CID 111118881) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol
PubChem CID111118881
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1ccccc1N1CCOCC1
InChIInChI=1S/C18H30N2O2/c1-4-15(2)18(3,21)14-19-13-16-7-5-6-8-17(16)20-9-11-22-12-10-20/h5-8,15,19,21H,4,9-14H2,1-3H3
InChIKeyCKUCJMYIGNOJID-UHFFFAOYSA-N
XLogP2.41
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111119117
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
CID 111118941
1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110928639
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 51096915
3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
CID 111463648
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 120509971
2-methyl-1-(2-morpholin-4-ylphenyl)propan-2-amine
CID 82620484
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol (CID 111118881) is 2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol is CCC(C)C(C)(O)CNCc1ccccc1N1CCOCC1.
What is the InChIKey of 2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol?
The InChIKey is CKUCJMYIGNOJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-15(2)18(3,21)14-19-13-16-7-5-6-8-17(16)20-9-11-22-12-10-20/h5-8,15,19,21H,4,9-14H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol?
2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol has a molecular weight of 306.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 111118881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).