N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine

C17H23NO — CID 114729277

IUPACN-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine
SMILESCNC(c1cc2cccc(C)c2o1)C1CCC(C)C1
InChIInChI=1S/C17H23NO/c1-11-7-8-13(9-11)16(18-3)15-10-14-6-4-5-12(2)17(14)19-15/h4-6,10-11,13,16,18H,7-9H2,1-3H3
InChIKeyZRNQWAVZMRFSMU-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.44
Rot. Bonds3

About N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine

N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine (PubChem CID 114729277) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine
PubChem CID114729277
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine
SMILESCNC(c1cc2cccc(C)c2o1)C1CCC(C)C1
InChIInChI=1S/C17H23NO/c1-11-7-8-13(9-11)16(18-3)15-10-14-6-4-5-12(2)17(14)19-15/h4-6,10-11,13,16,18H,7-9H2,1-3H3
InChIKeyZRNQWAVZMRFSMU-UHFFFAOYSA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
CID 114729155
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107005057
N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114730043
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105045696
[2-cyclopropyl-1-(7-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338377
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259
1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 105156231
[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105266605

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine (CID 114729277) is N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine is CNC(c1cc2cccc(C)c2o1)C1CCC(C)C1.
What is the InChIKey of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine?
The InChIKey is ZRNQWAVZMRFSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11-7-8-13(9-11)16(18-3)15-10-14-6-4-5-12(2)17(14)19-15/h4-6,10-11,13,16,18H,7-9H2,1-3H3.
What are the key properties of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine?
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 114729277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).