5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol

C10H16ClNO2 — CID 107267883

IUPAC5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ccc(Cl)o1
InChIInChI=1S/C10H16ClNO2/c1-8(13)3-2-6-12-7-9-4-5-10(11)14-9/h4-5,8,12-13H,2-3,6-7H2,1H3
InChIKeyIVDBSESYWAMFFN-UHFFFAOYSA-N
MW217.70 g/mol
LogP2.18
Rot. Bonds6

About 5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol

5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol (PubChem CID 107267883) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
PubChem CID107267883
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ccc(Cl)o1
InChIInChI=1S/C10H16ClNO2/c1-8(13)3-2-6-12-7-9-4-5-10(11)14-9/h4-5,8,12-13H,2-3,6-7H2,1H3
InChIKeyIVDBSESYWAMFFN-UHFFFAOYSA-N
XLogP2.18
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
ethyl 4-[(5-chlorofuran-2-yl)methylamino]butanoate
CID 60696105
6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol
CID 115697548
N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757649
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol (CID 107267883) is 5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol is CC(O)CCCNCc1ccc(Cl)o1.
What is the InChIKey of 5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol?
The InChIKey is IVDBSESYWAMFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-8(13)3-2-6-12-7-9-4-5-10(11)14-9/h4-5,8,12-13H,2-3,6-7H2,1H3.
What are the key properties of 5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol?
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol has a molecular weight of 217.70 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 107267883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).