1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol

C14H15Cl2NO3 — CID 111466747

IUPAC1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol
SMILESOCc1ccc(CNCC(O)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H15Cl2NO3/c15-9-1-4-12(13(16)5-9)14(19)7-17-6-10-2-3-11(8-18)20-10/h1-5,14,17-19H,6-8H2
InChIKeyJBEPOFIJMQFXLG-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.90
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol

1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol (PubChem CID 111466747) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol
PubChem CID111466747
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol
SMILESOCc1ccc(CNCC(O)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H15Cl2NO3/c15-9-1-4-12(13(16)5-9)14(19)7-17-6-10-2-3-11(8-18)20-10/h1-5,14,17-19H,6-8H2
InChIKeyJBEPOFIJMQFXLG-UHFFFAOYSA-N
XLogP2.90
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
CID 82313271
1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111114875
1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111114881
1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 82313283
1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 111424572
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 103699386
2-[(1-tert-butylpyrazol-4-yl)methylamino]-1-(2,4-dichlorophenyl)ethanol
CID 111114869
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 103699609
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol
CID 111466623
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol (CID 111466747) is 1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol is OCc1ccc(CNCC(O)c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol?
The InChIKey is JBEPOFIJMQFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-9-1-4-12(13(16)5-9)14(19)7-17-6-10-2-3-11(8-18)20-10/h1-5,14,17-19H,6-8H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol?
1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol has a molecular weight of 316.18 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol is sourced from PubChem (CID 111466747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).