2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol

C14H16ClNO4 — CID 60897326

IUPAC2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol
SMILESCOc1cc(OC)c(NCC(O)c2ccco2)cc1Cl
InChIInChI=1S/C14H16ClNO4/c1-18-13-7-14(19-2)10(6-9(13)15)16-8-11(17)12-4-3-5-20-12/h3-7,11,16-17H,8H2,1-2H3
InChIKeyBXUAALZPBVLNHR-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.10
Rot. Bonds6

About 2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol

2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol (PubChem CID 60897326) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol
PubChem CID60897326
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol
SMILESCOc1cc(OC)c(NCC(O)c2ccco2)cc1Cl
InChIInChI=1S/C14H16ClNO4/c1-18-13-7-14(19-2)10(6-9(13)15)16-8-11(17)12-4-3-5-20-12/h3-7,11,16-17H,8H2,1-2H3
InChIKeyBXUAALZPBVLNHR-UHFFFAOYSA-N
XLogP3.10
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-1-(furan-2-yl)ethanol
CID 60898821
3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropan-1-ol
CID 113343821
3-chloro-4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzonitrile
CID 107807886
(1R)-2-[[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229543
(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229540
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropanoate
CID 43538463
1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110903965
(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 63947956
5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
CID 43095051
2-(2-ethylanilino)-1-(furan-2-yl)ethanol
CID 55025106
1-(4-fluoro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78877901
5-chloro-2,4-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115742755

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol (CID 60897326) is 2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol is COc1cc(OC)c(NCC(O)c2ccco2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol?
The InChIKey is BXUAALZPBVLNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-18-13-7-14(19-2)10(6-9(13)15)16-8-11(17)12-4-3-5-20-12/h3-7,11,16-17H,8H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol?
2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol has a molecular weight of 297.74 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol is sourced from PubChem (CID 60897326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).