N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine

C18H25NO2 — CID 105045696

IUPACN-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(C)c2o1)C1COC(C)C1
InChIInChI=1S/C18H25NO2/c1-4-8-19-17(15-9-13(3)20-11-15)16-10-14-7-5-6-12(2)18(14)21-16/h5-7,10,13,15,17,19H,4,8-9,11H2,1-3H3
InChIKeyPBGJMVYSJKQDKJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.21
Rot. Bonds5

About N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine

N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 105045696) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID105045696
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(C)c2o1)C1COC(C)C1
InChIInChI=1S/C18H25NO2/c1-4-8-19-17(15-9-13(3)20-11-15)16-10-14-7-5-6-12(2)18(14)21-16/h5-7,10,13,15,17,19H,4,8-9,11H2,1-3H3
InChIKeyPBGJMVYSJKQDKJ-UHFFFAOYSA-N
XLogP4.21
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439
N-[1,4-dithian-2-yl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114729996
N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990
N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825356
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
N-[(2,5-dibromo-4-methylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825362
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine
CID 114729277
N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851784
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105045609
N-[(3-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106648226
N-[(5-methyloxolan-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023309

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine (CID 105045696) is N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cc2cccc(C)c2o1)C1COC(C)C1.
What is the InChIKey of N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is PBGJMVYSJKQDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-8-19-17(15-9-13(3)20-11-15)16-10-14-7-5-6-12(2)18(14)21-16/h5-7,10,13,15,17,19H,4,8-9,11H2,1-3H3.
What are the key properties of N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105045696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).