N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

C17H25NO2 — CID 79229598

IUPACN-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CC2COc3ccccc32)CCOC1
InChIInChI=1S/C17H25NO2/c1-2-8-18-12-17(7-9-19-13-17)10-14-11-20-16-6-4-3-5-15(14)16/h3-6,14,18H,2,7-13H2,1H3
InChIKeyKPPMMYAFAXZNKS-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.96
Rot. Bonds6

About N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 79229598) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID79229598
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CC2COc3ccccc32)CCOC1
InChIInChI=1S/C17H25NO2/c1-2-8-18-12-17(7-9-19-13-17)10-14-11-20-16-6-4-3-5-15(14)16/h3-6,14,18H,2,7-13H2,1H3
InChIKeyKPPMMYAFAXZNKS-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79219918
[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine
CID 79229754
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine
CID 79220520
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine
CID 79229912
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62997767
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine
CID 79219418
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
3-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79229269
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
CID 79220094
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 114757554
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (CID 79229598) is N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CC2COc3ccccc32)CCOC1.
What is the InChIKey of N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is KPPMMYAFAXZNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-8-18-12-17(7-9-19-13-17)10-14-11-20-16-6-4-3-5-15(14)16/h3-6,14,18H,2,7-13H2,1H3.
What are the key properties of N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79229598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).