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

C15H23NO — CID 66360046

IUPAC3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
SMILESCCC(CC1Cc2cc(C)ccc2O1)C(C)N
InChIInChI=1S/C15H23NO/c1-4-12(11(3)16)8-14-9-13-7-10(2)5-6-15(13)17-14/h5-7,11-12,14H,4,8-9,16H2,1-3H3
InChIKeyDORDBQCSYQBBHK-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.06
Rot. Bonds4

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

3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine (PubChem CID 66360046) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
PubChem CID66360046
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
SMILESCCC(CC1Cc2cc(C)ccc2O1)C(C)N
InChIInChI=1S/C15H23NO/c1-4-12(11(3)16)8-14-9-13-7-10(2)5-6-15(13)17-14/h5-7,11-12,14H,4,8-9,16H2,1-3H3
InChIKeyDORDBQCSYQBBHK-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine?
The IUPAC name of 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine (CID 66360046) is 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine is CCC(CC1Cc2cc(C)ccc2O1)C(C)N.
What is the InChIKey of 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine?
The InChIKey is DORDBQCSYQBBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-12(11(3)16)8-14-9-13-7-10(2)5-6-15(13)17-14/h5-7,11-12,14H,4,8-9,16H2,1-3H3.
What are the key properties of 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine?
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 66360046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).