2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol

C15H19NO2 — CID 111118617

IUPAC2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
SMILESCc1ccc(CNCC(O)c2ccccc2C)o1
InChIInChI=1S/C15H19NO2/c1-11-5-3-4-6-14(11)15(17)10-16-9-13-8-7-12(2)18-13/h3-8,15-17H,9-10H2,1-2H3
InChIKeySWQSYVKMVJUCJI-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.72
Rot. Bonds5

About 2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol

2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol (PubChem CID 111118617) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
PubChem CID111118617
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
SMILESCc1ccc(CNCC(O)c2ccccc2C)o1
InChIInChI=1S/C15H19NO2/c1-11-5-3-4-6-14(11)15(17)10-16-9-13-8-7-12(2)18-13/h3-8,15-17H,9-10H2,1-2H3
InChIKeySWQSYVKMVJUCJI-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 60761067
2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol
CID 123256673
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
(1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol
CID 112742110
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
CID 62625066
1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 78954234
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
CID 106170390
1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol
CID 111118599
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-(2-methylphenyl)ethanol
CID 111118631

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol (CID 111118617) is 2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol is Cc1ccc(CNCC(O)c2ccccc2C)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol?
The InChIKey is SWQSYVKMVJUCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-5-3-4-6-14(11)15(17)10-16-9-13-8-7-12(2)18-13/h3-8,15-17H,9-10H2,1-2H3.
What are the key properties of 2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol?
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol has a molecular weight of 245.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 111118617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).