1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol

C13H22N2O3 — CID 111468223

IUPAC1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCC(O)(CNCc1ccco1)CN1CCOCC1
InChIInChI=1S/C13H22N2O3/c1-13(16,11-15-4-7-17-8-5-15)10-14-9-12-3-2-6-18-12/h2-3,6,14,16H,4-5,7-11H2,1H3
InChIKeyQEKOSZLHTPJWTO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.45
Rot. Bonds6

About 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol

1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 111468223) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol
PubChem CID111468223
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCC(O)(CNCc1ccco1)CN1CCOCC1
InChIInChI=1S/C13H22N2O3/c1-13(16,11-15-4-7-17-8-5-15)10-14-9-12-3-2-6-18-12/h2-3,6,14,16H,4-5,7-11H2,1H3
InChIKeyQEKOSZLHTPJWTO-UHFFFAOYSA-N
XLogP0.45
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-morpholin-4-yl-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
CID 110019108
2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111468362
2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol
CID 111468279
2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 111468245
1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 111468348
1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 111468274
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111468248
5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol
CID 111467857
1-[(3-fluoro-2-pyridinyl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 75430513
2-(furan-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60695276
1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol
CID 115763817
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-phenylfuran-2-carboxamide
CID 111698273

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol (CID 111468223) is 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol is CC(O)(CNCc1ccco1)CN1CCOCC1.
What is the InChIKey of 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is QEKOSZLHTPJWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(16,11-15-4-7-17-8-5-15)10-14-9-12-3-2-6-18-12/h2-3,6,14,16H,4-5,7-11H2,1H3.
What are the key properties of 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol?
1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111468223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).