5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol

C16H19Cl2NO2 — CID 17211736

IUPAC5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C16H19Cl2NO2/c17-12-4-6-15(18)14(10-12)16-7-5-13(21-16)11-19-8-2-1-3-9-20/h4-7,10,19-20H,1-3,8-9,11H2
InChIKeyYNMLVIIKGOKHNS-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.51
Rot. Bonds8

About 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol

5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol (PubChem CID 17211736) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol
PubChem CID17211736
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol
SMILESOCCCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C16H19Cl2NO2/c17-12-4-6-15(18)14(10-12)16-7-5-13(21-16)11-19-8-2-1-3-9-20/h4-7,10,19-20H,1-3,8-9,11H2
InChIKeyYNMLVIIKGOKHNS-UHFFFAOYSA-N
XLogP4.51
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.51
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

2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332050
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723564
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17332038
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 2996307
2-[3-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214372
4-chloro-3-[5-[[3-(dibutylamino)propylamino]methyl]furan-2-yl]benzoic acid
CID 17214899
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 4724568
1-(1,3-benzodioxol-5-yl)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723563
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol?
The IUPAC name of 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol (CID 17211736) is 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol?
The canonical SMILES for 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol is OCCCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol?
The InChIKey is YNMLVIIKGOKHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c17-12-4-6-15(18)14(10-12)16-7-5-13(21-16)11-19-8-2-1-3-9-20/h4-7,10,19-20H,1-3,8-9,11H2.
What are the key properties of 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol?
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol has a molecular weight of 328.24 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol is sourced from PubChem (CID 17211736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).