N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine

C13H21NO2 — CID 115699095

IUPACN-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCc1ccoc1CNC(C)C1CCOCC1
InChIInChI=1S/C13H21NO2/c1-10-3-8-16-13(10)9-14-11(2)12-4-6-15-7-5-12/h3,8,11-12,14H,4-7,9H2,1-2H3
InChIKeyIHENJCCHUVNKLF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.49
Rot. Bonds4

About N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine

N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 115699095) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID115699095
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCc1ccoc1CNC(C)C1CCOCC1
InChIInChI=1S/C13H21NO2/c1-10-3-8-16-13(10)9-14-11(2)12-4-6-15-7-5-12/h3,8,11-12,14H,4-7,9H2,1-2H3
InChIKeyIHENJCCHUVNKLF-UHFFFAOYSA-N
XLogP2.49
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 129331885
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113260324
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113258289
tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate
CID 103698909
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 114115104
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699091
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 113488659
(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470
N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768975

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine (CID 115699095) is N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine is Cc1ccoc1CNC(C)C1CCOCC1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is IHENJCCHUVNKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-3-8-16-13(10)9-14-11(2)12-4-6-15-7-5-12/h3,8,11-12,14H,4-7,9H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115699095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).