1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol

C15H19NO3 — CID 60899568

IUPAC1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
SMILESCc1ccc(NCC(O)COCc2ccco2)cc1
InChIInChI=1S/C15H19NO3/c1-12-4-6-13(7-5-12)16-9-14(17)10-18-11-15-3-2-8-19-15/h2-8,14,16-17H,9-11H2,1H3
InChIKeyGHAYXQBOXXABBU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.58
Rot. Bonds7

About 1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol

1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol (PubChem CID 60899568) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
PubChem CID60899568
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
SMILESCc1ccc(NCC(O)COCc2ccco2)cc1
InChIInChI=1S/C15H19NO3/c1-12-4-6-13(7-5-12)16-9-14(17)10-18-11-15-3-2-8-19-15/h2-8,14,16-17H,9-11H2,1H3
InChIKeyGHAYXQBOXXABBU-UHFFFAOYSA-N
XLogP2.58
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol
CID 60901372
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline
CID 55088576
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
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
1-(2,3-dichloroanilino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 60901726
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol (CID 60899568) is 1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol is Cc1ccc(NCC(O)COCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol?
The InChIKey is GHAYXQBOXXABBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12-4-6-13(7-5-12)16-9-14(17)10-18-11-15-3-2-8-19-15/h2-8,14,16-17H,9-11H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol?
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol is sourced from PubChem (CID 60899568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).