3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine

C17H25NO2 — CID 106469582

IUPAC3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CC1Cc2ccccc2O1
InChIInChI=1S/C17H25NO2/c1-2-8-18-16-7-9-19-12-14(16)11-15-10-13-5-3-4-6-17(13)20-15/h3-6,14-16,18H,2,7-12H2,1H3
InChIKeySDOYVUCJVZFZKU-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.78
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine

3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine (PubChem CID 106469582) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine
PubChem CID106469582
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CC1Cc2ccccc2O1
InChIInChI=1S/C17H25NO2/c1-2-8-18-16-7-9-19-12-14(16)11-15-10-13-5-3-4-6-17(13)20-15/h3-6,14-16,18H,2,7-12H2,1H3
InChIKeySDOYVUCJVZFZKU-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran
CID 106471713
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819
3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine
CID 106469556
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
3-(furan-3-ylmethyl)-N-propyloxan-4-amine
CID 106469611
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 66364834
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine
CID 66364972
3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
CID 103058468

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine (CID 106469582) is 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine is CCCNC1CCOCC1CC1Cc2ccccc2O1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine?
The InChIKey is SDOYVUCJVZFZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-8-18-16-7-9-19-12-14(16)11-15-10-13-5-3-4-6-17(13)20-15/h3-6,14-16,18H,2,7-12H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine?
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine has a molecular weight of 275.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine is sourced from PubChem (CID 106469582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).