N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine

C12H20N2O2 — CID 62422863

IUPACN-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1occc1CN1CCOCC1C
InChIInChI=1S/C12H20N2O2/c1-10-9-15-6-4-14(10)8-11-3-5-16-12(11)7-13-2/h3,5,10,13H,4,6-9H2,1-2H3
InChIKeyXBJNDQYDDBLPFM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.22
Rot. Bonds4

About N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine

N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine (PubChem CID 62422863) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
PubChem CID62422863
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1occc1CN1CCOCC1C
InChIInChI=1S/C12H20N2O2/c1-10-9-15-6-4-14(10)8-11-3-5-16-12(11)7-13-2/h3,5,10,13H,4,6-9H2,1-2H3
InChIKeyXBJNDQYDDBLPFM-UHFFFAOYSA-N
XLogP1.22
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438856
1-[2-[(3-ethylmorpholin-4-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 55134466
1-[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413521
1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 55072456
1-[3-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413262
1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 103540001
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 115562260
1-[2-[(2-ethylpyrrolidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62439336
N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 43542433
N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102886933
N-[[3-[(2,5-dimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62431715
[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine (CID 62422863) is N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine is CNCc1occc1CN1CCOCC1C.
What is the InChIKey of N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine?
The InChIKey is XBJNDQYDDBLPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-9-15-6-4-14(10)8-11-3-5-16-12(11)7-13-2/h3,5,10,13H,4,6-9H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine?
N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine has a molecular weight of 224.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62422863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).