2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol

C18H23NO3 — CID 111457754

IUPAC2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol
SMILESCC1CC1c1ccc(CNCc2ccccc2OCCO)o1
InChIInChI=1S/C18H23NO3/c1-13-10-16(13)18-7-6-15(22-18)12-19-11-14-4-2-3-5-17(14)21-9-8-20/h2-7,13,16,19-20H,8-12H2,1H3
InChIKeyKPUZTMRTCXNRGX-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.06
Rot. Bonds8

About 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol

2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol (PubChem CID 111457754) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol
PubChem CID111457754
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol
SMILESCC1CC1c1ccc(CNCc2ccccc2OCCO)o1
InChIInChI=1S/C18H23NO3/c1-13-10-16(13)18-7-6-15(22-18)12-19-11-14-4-2-3-5-17(14)21-9-8-20/h2-7,13,16,19-20H,8-12H2,1H3
InChIKeyKPUZTMRTCXNRGX-UHFFFAOYSA-N
XLogP3.06
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol with MolForge

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Related Compounds

1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
CID 43178065
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline
CID 86799489
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine
CID 60691668
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
3-methyl-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 115655991
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol
CID 63182317
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457847
N-[(1-methylcyclobutyl)methyl]-1-[5-(2-methylcyclopropyl)furan-2-yl]methanamine
CID 103735997

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol (CID 111457754) is 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol is CC1CC1c1ccc(CNCc2ccccc2OCCO)o1.
What is the InChIKey of 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol?
The InChIKey is KPUZTMRTCXNRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13-10-16(13)18-7-6-15(22-18)12-19-11-14-4-2-3-5-17(14)21-9-8-20/h2-7,13,16,19-20H,8-12H2,1H3.
What are the key properties of 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol?
2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol has a molecular weight of 301.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 111457754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).