3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol

C17H19NO3 — CID 65322565

IUPAC3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
SMILESCOc1ccc(C#CCO)c(CN(C)Cc2ccoc2)c1
InChIInChI=1S/C17H19NO3/c1-18(11-14-7-9-21-13-14)12-16-10-17(20-2)6-5-15(16)4-3-8-19/h5-7,9-10,13,19H,8,11-12H2,1-2H3
InChIKeyMXJYZXZICFCHKD-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.26
Rot. Bonds5

About 3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol

3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol (PubChem CID 65322565) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
PubChem CID65322565
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
SMILESCOc1ccc(C#CCO)c(CN(C)Cc2ccoc2)c1
InChIInChI=1S/C17H19NO3/c1-18(11-14-7-9-21-13-14)12-16-10-17(20-2)6-5-15(16)4-3-8-19/h5-7,9-10,13,19H,8,11-12H2,1-2H3
InChIKeyMXJYZXZICFCHKD-UHFFFAOYSA-N
XLogP2.26
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-methoxy-2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 82938802
3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323748
4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol
CID 65322572
1-[[2-(4-hydroxybut-1-ynyl)-5-methoxyphenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379703
3-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65324048
3-[4-methoxy-2-(propan-2-ylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 65323426
3-[4-methoxy-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 65322620
3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol
CID 65323849
3-[2-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323953
3-[4-methoxy-2-(1-methoxypropan-2-yloxymethyl)phenyl]prop-2-yn-1-ol
CID 65323471
4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 65322187
3-[2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65322041

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol (CID 65322565) is 3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol is COc1ccc(C#CCO)c(CN(C)Cc2ccoc2)c1.
What is the InChIKey of 3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol?
The InChIKey is MXJYZXZICFCHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18(11-14-7-9-21-13-14)12-16-10-17(20-2)6-5-15(16)4-3-8-19/h5-7,9-10,13,19H,8,11-12H2,1-2H3.
What are the key properties of 3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol?
3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol has a molecular weight of 285.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 65322565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).