N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine

C10H17NO3 — CID 66224056

IUPACN-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine
SMILESCOC(CN(C)Cc1ccoc1)OC
InChIInChI=1S/C10H17NO3/c1-11(7-10(12-2)13-3)6-9-4-5-14-8-9/h4-5,8,10H,6-7H2,1-3H3
InChIKeyVLPWLAFSDSNDMH-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.33
Rot. Bonds6

About N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine

N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine (PubChem CID 66224056) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine
PubChem CID66224056
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine
SMILESCOC(CN(C)Cc1ccoc1)OC
InChIInChI=1S/C10H17NO3/c1-11(7-10(12-2)13-3)6-9-4-5-14-8-9/h4-5,8,10H,6-7H2,1-3H3
InChIKeyVLPWLAFSDSNDMH-UHFFFAOYSA-N
XLogP1.33
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 61422954
(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 106932749
3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile
CID 64536146
[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]boronic acid
CID 54970779
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[furan-3-ylmethyl(methyl)amino]ethanol
CID 94455731
1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopropan-1-amine
CID 65458432
1-(2-fluorophenyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115996861
[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine
CID 107556500
2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073397
3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal
CID 62275696
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine (CID 66224056) is N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine is COC(CN(C)Cc1ccoc1)OC.
What is the InChIKey of N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine?
The InChIKey is VLPWLAFSDSNDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11(7-10(12-2)13-3)6-9-4-5-14-8-9/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine?
N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine has a molecular weight of 199.25 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine is sourced from PubChem (CID 66224056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).