4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol

C15H19NO2 — CID 78943399

IUPAC4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol
SMILESCc1ccc(CNC(C)Cc2ccc(O)cc2)o1
InChIInChI=1S/C15H19NO2/c1-11(9-13-4-6-14(17)7-5-13)16-10-15-8-3-12(2)18-15/h3-8,11,16-17H,9-10H2,1-2H3
InChIKeyNRJRJGDOUQDUPP-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.01
Rot. Bonds5

About 4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol

4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol (PubChem CID 78943399) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol
PubChem CID78943399
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol
SMILESCc1ccc(CNC(C)Cc2ccc(O)cc2)o1
InChIInChI=1S/C15H19NO2/c1-11(9-13-4-6-14(17)7-5-13)16-10-15-8-3-12(2)18-15/h3-8,11,16-17H,9-10H2,1-2H3
InChIKeyNRJRJGDOUQDUPP-UHFFFAOYSA-N
XLogP3.01
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 781905
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
1-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propan-2-amine
CID 63988709
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol
CID 78943406
N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010727
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317250

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol?
The IUPAC name of 4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol (CID 78943399) is 4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol?
The canonical SMILES for 4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol is Cc1ccc(CNC(C)Cc2ccc(O)cc2)o1.
What is the InChIKey of 4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol?
The InChIKey is NRJRJGDOUQDUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(9-13-4-6-14(17)7-5-13)16-10-15-8-3-12(2)18-15/h3-8,11,16-17H,9-10H2,1-2H3.
What are the key properties of 4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol?
4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol has a molecular weight of 245.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol is sourced from PubChem (CID 78943399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).