N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine

C15H23NO — CID 66362736

IUPACN-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine
SMILESCCC(CCC1Cc2cc(C)ccc2O1)NC
InChIInChI=1S/C15H23NO/c1-4-13(16-3)6-7-14-10-12-9-11(2)5-8-15(12)17-14/h5,8-9,13-14,16H,4,6-7,10H2,1-3H3
InChIKeyUSBNNGXDZCBTEQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.08
Rot. Bonds5

About N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine

N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine (PubChem CID 66362736) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine
PubChem CID66362736
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine
SMILESCCC(CCC1Cc2cc(C)ccc2O1)NC
InChIInChI=1S/C15H23NO/c1-4-13(16-3)6-7-14-10-12-9-11(2)5-8-15(12)17-14/h5,8-9,13-14,16H,4,6-7,10H2,1-3H3
InChIKeyUSBNNGXDZCBTEQ-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine?
The IUPAC name of N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine (CID 66362736) is N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine.
What is the SMILES notation for N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine?
The canonical SMILES for N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine is CCC(CCC1Cc2cc(C)ccc2O1)NC.
What is the InChIKey of N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine?
The InChIKey is USBNNGXDZCBTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-13(16-3)6-7-14-10-12-9-11(2)5-8-15(12)17-14/h5,8-9,13-14,16H,4,6-7,10H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine?
N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine has a molecular weight of 233.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine is sourced from PubChem (CID 66362736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).