[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine

C17H25NO — CID 66391386

IUPAC[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine
SMILESCc1ccc2c(c1)CC(CC1(CN)CCC(C)C1)O2
InChIInChI=1S/C17H25NO/c1-12-3-4-16-14(7-12)8-15(19-16)10-17(11-18)6-5-13(2)9-17/h3-4,7,13,15H,5-6,8-11,18H2,1-2H3
InChIKeyXXDZNXNLODNWKX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.45
Rot. Bonds3

About [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine

[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine (PubChem CID 66391386) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine
PubChem CID66391386
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine
SMILESCc1ccc2c(c1)CC(CC1(CN)CCC(C)C1)O2
InChIInChI=1S/C17H25NO/c1-12-3-4-16-14(7-12)8-15(19-16)10-17(11-18)6-5-13(2)9-17/h3-4,7,13,15H,5-6,8-11,18H2,1-2H3
InChIKeyXXDZNXNLODNWKX-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine (CID 66391386) is [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine is Cc1ccc2c(c1)CC(CC1(CN)CCC(C)C1)O2.
What is the InChIKey of [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine?
The InChIKey is XXDZNXNLODNWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-3-4-16-14(7-12)8-15(19-16)10-17(11-18)6-5-13(2)9-17/h3-4,7,13,15H,5-6,8-11,18H2,1-2H3.
What are the key properties of [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine?
[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 66391386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).