1-(furan-2-yl)-2-phenylmethoxyethanamine

C13H15NO2 — CID 16788903

IUPAC1-(furan-2-yl)-2-phenylmethoxyethanamine
SMILESNC(COCc1ccccc1)c1ccco1
InChIInChI=1S/C13H15NO2/c14-12(13-7-4-8-16-13)10-15-9-11-5-2-1-3-6-11/h1-8,12H,9-10,14H2
InChIKeyADOKDUWCGLHNGX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.50
Rot. Bonds5

About 1-(furan-2-yl)-2-phenylmethoxyethanamine

1-(furan-2-yl)-2-phenylmethoxyethanamine (PubChem CID 16788903) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-phenylmethoxyethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-phenylmethoxyethanamine
PubChem CID16788903
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(furan-2-yl)-2-phenylmethoxyethanamine
SMILESNC(COCc1ccccc1)c1ccco1
InChIInChI=1S/C13H15NO2/c14-12(13-7-4-8-16-13)10-15-9-11-5-2-1-3-6-11/h1-8,12H,9-10,14H2
InChIKeyADOKDUWCGLHNGX-UHFFFAOYSA-N
XLogP2.50
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
(2S)-2-amino-3-phenylmethoxypropane-1-thiol
CID 87876386
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
2,2-dibromoethoxymethylbenzene
CID 14668834
2-phenylmethoxyethane-1,1-diol
CID 59866645
2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine
CID 21157760
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine
CID 130995877
2-(1-phenylmethoxyprop-2-enyl)furan
CID 46944298
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-phenylmethoxyethanamine?
The IUPAC name of 1-(furan-2-yl)-2-phenylmethoxyethanamine (CID 16788903) is 1-(furan-2-yl)-2-phenylmethoxyethanamine.
What is the SMILES notation for 1-(furan-2-yl)-2-phenylmethoxyethanamine?
The canonical SMILES for 1-(furan-2-yl)-2-phenylmethoxyethanamine is NC(COCc1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-phenylmethoxyethanamine?
The InChIKey is ADOKDUWCGLHNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-12(13-7-4-8-16-13)10-15-9-11-5-2-1-3-6-11/h1-8,12H,9-10,14H2.
What are the key properties of 1-(furan-2-yl)-2-phenylmethoxyethanamine?
1-(furan-2-yl)-2-phenylmethoxyethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-phenylmethoxyethanamine is sourced from PubChem (CID 16788903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).