1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine

C16H19NO2 — CID 43754954

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccco1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H19NO2/c1-2-15(17-11-14-4-3-8-18-14)12-5-6-16-13(10-12)7-9-19-16/h3-6,8,10,15,17H,2,7,9,11H2,1H3
InChIKeyFMYGIHQGCUKVSR-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.46
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 43754954) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID43754954
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccco1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H19NO2/c1-2-15(17-11-14-4-3-8-18-14)12-5-6-16-13(10-12)7-9-19-16/h3-6,8,10,15,17H,2,7,9,11H2,1H3
InChIKeyFMYGIHQGCUKVSR-UHFFFAOYSA-N
XLogP3.46
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81399477
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43776500
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(furan-2-yl)ethanol
CID 83171228
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
CID 106391529
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114955137
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 115712953

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine (CID 43754954) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine is CCC(NCc1ccco1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is FMYGIHQGCUKVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-15(17-11-14-4-3-8-18-14)12-5-6-16-13(10-12)7-9-19-16/h3-6,8,10,15,17H,2,7,9,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 43754954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).