2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol

C12H18ClNO2 — CID 117240312

IUPAC2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol
SMILESOCC(CNC1CCCC1)c1ccc(Cl)o1
InChIInChI=1S/C12H18ClNO2/c13-12-6-5-11(16-12)9(8-15)7-14-10-3-1-2-4-10/h5-6,9-10,14-15H,1-4,7-8H2
InChIKeyFUSPJHUTRZJAAK-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.54
Rot. Bonds5

About 2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol

2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol (PubChem CID 117240312) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol
PubChem CID117240312
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol
SMILESOCC(CNC1CCCC1)c1ccc(Cl)o1
InChIInChI=1S/C12H18ClNO2/c13-12-6-5-11(16-12)9(8-15)7-14-10-3-1-2-4-10/h5-6,9-10,14-15H,1-4,7-8H2
InChIKeyFUSPJHUTRZJAAK-UHFFFAOYSA-N
XLogP2.54
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol
CID 117240298
2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid
CID 117240781
methyl 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoate
CID 117240782
2-(5-chlorothiophen-2-yl)-3-(cyclopropylamino)propan-1-ol
CID 117240288
2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol
CID 117240446
3-(cyclopropylamino)-2-pyridin-2-ylpropan-1-ol
CID 117241410
3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244719
3-(cyclopropylamino)-2-thiophen-2-ylpropan-1-ol
CID 117240284
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
N-(2-phenylbutyl)cyclopentanamine
CID 60664890

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol?
The IUPAC name of 2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol (CID 117240312) is 2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol is OCC(CNC1CCCC1)c1ccc(Cl)o1.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol?
The InChIKey is FUSPJHUTRZJAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c13-12-6-5-11(16-12)9(8-15)7-14-10-3-1-2-4-10/h5-6,9-10,14-15H,1-4,7-8H2.
What are the key properties of 2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol?
2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-3-(cyclopentylamino)propan-1-ol is sourced from PubChem (CID 117240312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).