N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine

C16H21NO2S — CID 62485651

IUPACN-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COCCc2cccs2)cc1CNC1CC1
InChIInChI=1S/C16H21NO2S/c1-12-13(10-17-14-4-5-14)9-15(19-12)11-18-7-6-16-3-2-8-20-16/h2-3,8-9,14,17H,4-7,10-11H2,1H3
InChIKeyHEBNMZRZEMIRMA-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.66
Rot. Bonds8

About N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine

N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 62485651) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID62485651
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COCCc2cccs2)cc1CNC1CC1
InChIInChI=1S/C16H21NO2S/c1-12-13(10-17-14-4-5-14)9-15(19-12)11-18-7-6-16-3-2-8-20-16/h2-3,8-9,14,17H,4-7,10-11H2,1H3
InChIKeyHEBNMZRZEMIRMA-UHFFFAOYSA-N
XLogP3.66
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.66
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-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 103181090
N-[[5-(furan-2-ylmethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446362
N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62458955
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
CID 115953954
N-[[5-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62443618
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[5-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62430120
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62460346
N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 64712809
N-[[4-(3-methoxypropoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62442824

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine (CID 62485651) is N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine is Cc1oc(COCCc2cccs2)cc1CNC1CC1.
What is the InChIKey of N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is HEBNMZRZEMIRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12-13(10-17-14-4-5-14)9-15(19-12)11-18-7-6-16-3-2-8-20-16/h2-3,8-9,14,17H,4-7,10-11H2,1H3.
What are the key properties of N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 291.42 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62485651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).