1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol

C14H15Cl2NO3 — CID 60901726

IUPAC1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1cccc(Cl)c1Cl)COCc1ccco1
InChIInChI=1S/C14H15Cl2NO3/c15-12-4-1-5-13(14(12)16)17-7-10(18)8-19-9-11-3-2-6-20-11/h1-6,10,17-18H,7-9H2
InChIKeyLLSOBGRLGORKCC-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.58
Rot. Bonds7

About 1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol

1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 60901726) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID60901726
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1cccc(Cl)c1Cl)COCc1ccco1
InChIInChI=1S/C14H15Cl2NO3/c15-12-4-1-5-13(14(12)16)17-7-10(18)8-19-9-11-3-2-6-20-11/h1-6,10,17-18H,7-9H2
InChIKeyLLSOBGRLGORKCC-UHFFFAOYSA-N
XLogP3.58
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol
CID 60901372
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568
1-(5-bromo-2,4-difluoroanilino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 102853485
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol
CID 60899614
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215
1-(furan-2-ylmethoxy)-3-(2-methoxyethoxyamino)propan-2-ol
CID 82721549

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol (CID 60901726) is 1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol is OC(CNc1cccc(Cl)c1Cl)COCc1ccco1.
What is the InChIKey of 1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is LLSOBGRLGORKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-12-4-1-5-13(14(12)16)17-7-10(18)8-19-9-11-3-2-6-20-11/h1-6,10,17-18H,7-9H2.
What are the key properties of 1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol?
1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 316.18 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60901726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).