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

C15H21NO — CID 66360179

IUPACN-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
SMILESCc1ccc2c(c1)CC(CNC1CCCC1)O2
InChIInChI=1S/C15H21NO/c1-11-6-7-15-12(8-11)9-14(17-15)10-16-13-4-2-3-5-13/h6-8,13-14,16H,2-5,9-10H2,1H3
InChIKeyUNDPSMBCIBSSIH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.83
Rot. Bonds3

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

N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine (PubChem CID 66360179) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
PubChem CID66360179
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
SMILESCc1ccc2c(c1)CC(CNC1CCCC1)O2
InChIInChI=1S/C15H21NO/c1-11-6-7-15-12(8-11)9-14(17-15)10-16-13-4-2-3-5-13/h6-8,13-14,16H,2-5,9-10H2,1H3
InChIKeyUNDPSMBCIBSSIH-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol
CID 66360581
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66361361
2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine
CID 114108224
1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66362796
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 66360377
1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106257211
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
1-chloro-2-(chloromethyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 107867024

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine (CID 66360179) is N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine is Cc1ccc2c(c1)CC(CNC1CCCC1)O2.
What is the InChIKey of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine?
The InChIKey is UNDPSMBCIBSSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-7-15-12(8-11)9-14(17-15)10-16-13-4-2-3-5-13/h6-8,13-14,16H,2-5,9-10H2,1H3.
What are the key properties of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine?
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine has a molecular weight of 231.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 66360179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).