1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol

C13H20N2O2 — CID 43166281

IUPAC1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
SMILESOC(CNC1CC1)COCCc1ccccn1
InChIInChI=1S/C13H20N2O2/c16-13(9-15-12-4-5-12)10-17-8-6-11-3-1-2-7-14-11/h1-3,7,12-13,15-16H,4-6,8-10H2
InChIKeyJGIDXJZGCAWMRD-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.75
Rot. Bonds8

About 1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol

1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol (PubChem CID 43166281) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
PubChem CID43166281
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
SMILESOC(CNC1CC1)COCCc1ccccn1
InChIInChI=1S/C13H20N2O2/c16-13(9-15-12-4-5-12)10-17-8-6-11-3-1-2-7-14-11/h1-3,7,12-13,15-16H,4-6,8-10H2
InChIKeyJGIDXJZGCAWMRD-UHFFFAOYSA-N
XLogP0.75
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-pyridin-2-ylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62457043
N-[5-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455569
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 62269338
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62455562
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-[[4-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255155
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633849
N-[4-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455196
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol (CID 43166281) is 1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol is OC(CNC1CC1)COCCc1ccccn1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
The InChIKey is JGIDXJZGCAWMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-13(9-15-12-4-5-12)10-17-8-6-11-3-1-2-7-14-11/h1-3,7,12-13,15-16H,4-6,8-10H2.
What are the key properties of 1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol is sourced from PubChem (CID 43166281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).