N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine

C15H19NO3 — CID 55078089

IUPACN-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine
SMILESCNCc1ccc(COCCOc2ccccc2)o1
InChIInChI=1S/C15H19NO3/c1-16-11-14-7-8-15(19-14)12-17-9-10-18-13-5-3-2-4-6-13/h2-8,16H,9-12H2,1H3
InChIKeyJSGHAOMFYCREHE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.59
Rot. Bonds8

About N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine

N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine (PubChem CID 55078089) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine
PubChem CID55078089
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine
SMILESCNCc1ccc(COCCOc2ccccc2)o1
InChIInChI=1S/C15H19NO3/c1-16-11-14-7-8-15(19-14)12-17-9-10-18-13-5-3-2-4-6-13/h2-8,16H,9-12H2,1H3
InChIKeyJSGHAOMFYCREHE-UHFFFAOYSA-N
XLogP2.59
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505791
N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
CID 82791750
N-methyl-1-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanamine
CID 62460500
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
1-[5-[(3-ethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62452138
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
CID 55077090
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62453412
1-[5-[[3-(methoxymethyl)phenoxy]methyl]furan-2-yl]-N-methylmethanamine
CID 63986399
N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62441293
1-[5-[(3,5-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62783791
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine (CID 55078089) is N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine is CNCc1ccc(COCCOc2ccccc2)o1.
What is the InChIKey of N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine?
The InChIKey is JSGHAOMFYCREHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16-11-14-7-8-15(19-14)12-17-9-10-18-13-5-3-2-4-6-13/h2-8,16H,9-12H2,1H3.
What are the key properties of N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine?
N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 55078089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).