2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol

C13H23NO2 — CID 115133777

IUPAC2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol
SMILESCc1ccc(C(C)(C)CNC(C)(C)CO)o1
InChIInChI=1S/C13H23NO2/c1-10-6-7-11(16-10)12(2,3)8-14-13(4,5)9-15/h6-7,14-15H,8-9H2,1-5H3
InChIKeyKNBHCSWHHKQTKT-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.23
Rot. Bonds5

About 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol

2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol (PubChem CID 115133777) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol
PubChem CID115133777
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol
SMILESCc1ccc(C(C)(C)CNC(C)(C)CO)o1
InChIInChI=1S/C13H23NO2/c1-10-6-7-11(16-10)12(2,3)8-14-13(4,5)9-15/h6-7,14-15H,8-9H2,1-5H3
InChIKeyKNBHCSWHHKQTKT-UHFFFAOYSA-N
XLogP2.23
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-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-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
CID 115136377
N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine
CID 115206193
2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile
CID 115131576
4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol
CID 115149649
ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate
CID 115257618
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
CID 115155862
2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133734
methyl 4-methyl-4-(5-methylfuran-2-yl)pentanoate
CID 14357301
4-methyl-4-(5-methylfuran-2-yl)pentanoic acid
CID 14357302
N-methyl-2-(5-methylfuran-2-yl)propan-2-amine
CID 83681997
(4R)-4-(5-methylfuran-2-yl)pentane-1,4-diol
CID 124706814
N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine
CID 115118379

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol (CID 115133777) is 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol is Cc1ccc(C(C)(C)CNC(C)(C)CO)o1.
What is the InChIKey of 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol?
The InChIKey is KNBHCSWHHKQTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-6-7-11(16-10)12(2,3)8-14-13(4,5)9-15/h6-7,14-15H,8-9H2,1-5H3.
What are the key properties of 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol?
2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol is sourced from PubChem (CID 115133777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).