2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol

C13H15NO3 — CID 43743697

IUPAC2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol
SMILESCOc1ccc(NCc2ccc(C)o2)cc1O
InChIInChI=1S/C13H15NO3/c1-9-3-5-11(17-9)8-14-10-4-6-13(16-2)12(15)7-10/h3-7,14-15H,8H2,1-2H3
InChIKeyAVCNZCPHDOSQSB-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.91
Rot. Bonds4

About 2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol

2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol (PubChem CID 43743697) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol
PubChem CID43743697
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol
SMILESCOc1ccc(NCc2ccc(C)o2)cc1O
InChIInChI=1S/C13H15NO3/c1-9-3-5-11(17-9)8-14-10-4-6-13(16-2)12(15)7-10/h3-7,14-15H,8H2,1-2H3
InChIKeyAVCNZCPHDOSQSB-UHFFFAOYSA-N
XLogP2.91
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43380614
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
5-(ethylamino)-2-methoxyphenol
CID 43743866
4-ethoxy-3-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 112685476
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
CID 62347377
3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 71736990
2-chloro-4,5-dimethoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43712372
2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol
CID 43743858
[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
CID 64580720
2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 119124464

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol?
The IUPAC name of 2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol (CID 43743697) is 2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol.
What is the SMILES notation for 2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol?
The canonical SMILES for 2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol is COc1ccc(NCc2ccc(C)o2)cc1O.
What is the InChIKey of 2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol?
The InChIKey is AVCNZCPHDOSQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-3-5-11(17-9)8-14-10-4-6-13(16-2)12(15)7-10/h3-7,14-15H,8H2,1-2H3.
What are the key properties of 2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol?
2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol has a molecular weight of 233.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol is sourced from PubChem (CID 43743697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).