N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine

C17H24N2O2 — CID 62459476

IUPACN-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCNCc1oc2ccccc2c1COCCN1CCCC1
InChIInChI=1S/C17H24N2O2/c1-18-12-17-15(14-6-2-3-7-16(14)21-17)13-20-11-10-19-8-4-5-9-19/h2-3,6-7,18H,4-5,8-13H2,1H3
InChIKeyXRVSUFDPCZFWHS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.76
Rot. Bonds7

About N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine

N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 62459476) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID62459476
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCNCc1oc2ccccc2c1COCCN1CCCC1
InChIInChI=1S/C17H24N2O2/c1-18-12-17-15(14-6-2-3-7-16(14)21-17)13-20-11-10-19-8-4-5-9-19/h2-3,6-7,18H,4-5,8-13H2,1H3
InChIKeyXRVSUFDPCZFWHS-UHFFFAOYSA-N
XLogP2.76
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.76
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-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372
N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485822
2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine
CID 55076653
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62423940
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873
N-methyl-1-[5-methyl-4-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methanamine
CID 62460576
N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine (CID 62459476) is N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine is CNCc1oc2ccccc2c1COCCN1CCCC1.
What is the InChIKey of N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is XRVSUFDPCZFWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-12-17-15(14-6-2-3-7-16(14)21-17)13-20-11-10-19-8-4-5-9-19/h2-3,6-7,18H,4-5,8-13H2,1H3.
What are the key properties of N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 288.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62459476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).