(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

C12H19NO2 — CID 82836690

IUPAC(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CN[C@@H](C)c2ccco2)O1
InChIInChI=1S/C12H19NO2/c1-9-5-6-11(15-9)8-13-10(2)12-4-3-7-14-12/h3-4,7,9-11,13H,5-6,8H2,1-2H3/t9?,10-,11?/m0/s1
InChIKeyMYKLWDDSVZWZHQ-YVNMAJEFSA-N
MW209.29 g/mol
LogP2.50
Rot. Bonds4

About (1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 82836690) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID82836690
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CN[C@@H](C)c2ccco2)O1
InChIInChI=1S/C12H19NO2/c1-9-5-6-11(15-9)8-13-10(2)12-4-3-7-14-12/h3-4,7,9-11,13H,5-6,8H2,1-2H3/t9?,10-,11?/m0/s1
InChIKeyMYKLWDDSVZWZHQ-YVNMAJEFSA-N
XLogP2.50
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
4-[1-[(5-methyloxolan-2-yl)methylamino]ethyl]benzonitrile
CID 82833990
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834051
N-(2-cyclopentylethyl)-1-(furan-2-yl)ethanamine
CID 60919683
(1R)-1-(furan-2-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162320
N-(2-cyclohexylethyl)-1-(furan-2-yl)ethanamine
CID 60919809
1-(1,3-benzodioxol-5-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833988
N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 82835174

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (CID 82836690) is (1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine is CC1CCC(CN[C@@H](C)c2ccco2)O1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is MYKLWDDSVZWZHQ-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-5-6-11(15-9)8-13-10(2)12-4-3-7-14-12/h3-4,7,9-11,13H,5-6,8H2,1-2H3/t9?,10-,11?/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 82836690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).