1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol

C13H21NO2 — CID 111467688

IUPAC1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol
SMILESCc1cc(C(C)(O)CNCC2CC2)c(C)o1
InChIInChI=1S/C13H21NO2/c1-9-6-12(10(2)16-9)13(3,15)8-14-7-11-4-5-11/h6,11,14-15H,4-5,7-8H2,1-3H3
InChIKeyDEPQAQCOFOFAPE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.10
Rot. Bonds5

About 1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol

1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol (PubChem CID 111467688) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol
PubChem CID111467688
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol
SMILESCc1cc(C(C)(O)CNCC2CC2)c(C)o1
InChIInChI=1S/C13H21NO2/c1-9-6-12(10(2)16-9)13(3,15)8-14-7-11-4-5-11/h6,11,14-15H,4-5,7-8H2,1-3H3
InChIKeyDEPQAQCOFOFAPE-UHFFFAOYSA-N
XLogP2.10
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 111755766
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-methylcyclohexane-1-carboxamide
CID 111479183
2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111479112
2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 111467697
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-[(2-methylcyclopropyl)methyl]guanidine
CID 119141654
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1-methylpiperidin-4-yl)urea
CID 111463952
2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol
CID 111467685
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
CID 96567145
5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
CID 96567152
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
CID 71985031
3-[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]methyl]benzonitrile
CID 111467740

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol (CID 111467688) is 1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol is Cc1cc(C(C)(O)CNCC2CC2)c(C)o1.
What is the InChIKey of 1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol?
The InChIKey is DEPQAQCOFOFAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-6-12(10(2)16-9)13(3,15)8-14-7-11-4-5-11/h6,11,14-15H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol?
1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol is sourced from PubChem (CID 111467688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).