N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine

C16H23NO2 — CID 78910434

IUPACN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
SMILESCOc1cc2c(cc1CNC1CCCC1)OC(C)C2
InChIInChI=1S/C16H23NO2/c1-11-7-12-8-15(18-2)13(9-16(12)19-11)10-17-14-5-3-4-6-14/h8-9,11,14,17H,3-7,10H2,1-2H3
InChIKeyWLRPAPKXLULCIH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.05
Rot. Bonds4

About N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine (PubChem CID 78910434) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
PubChem CID78910434
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
SMILESCOc1cc2c(cc1CNC1CCCC1)OC(C)C2
InChIInChI=1S/C16H23NO2/c1-11-7-12-8-15(18-2)13(9-16(12)19-11)10-17-14-5-3-4-6-14/h8-9,11,14,17H,3-7,10H2,1-2H3
InChIKeyWLRPAPKXLULCIH-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]oxetan-3-amine
CID 115349694
trans-(1R,2R)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 124859758
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701403
(3R)-3-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]azepan-2-one
CID 97045781
2-cyclopentyl-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 115280469
2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056880
4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol
CID 110878800
(6R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 95137857
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 78974962
(3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine
CID 30618496
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671604
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-1-amine
CID 83006494

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine (CID 78910434) is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine is COc1cc2c(cc1CNC1CCCC1)OC(C)C2.
What is the InChIKey of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine?
The InChIKey is WLRPAPKXLULCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-7-12-8-15(18-2)13(9-16(12)19-11)10-17-14-5-3-4-6-14/h8-9,11,14,17H,3-7,10H2,1-2H3.
What are the key properties of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine?
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine has a molecular weight of 261.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine is sourced from PubChem (CID 78910434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).