1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine

C17H21NO2 — CID 81399477

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCC(N[C@H](C)c1ccco1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H21NO2/c1-3-15(18-12(2)16-5-4-9-19-16)13-6-7-17-14(11-13)8-10-20-17/h4-7,9,11-12,15,18H,3,8,10H2,1-2H3/t12-,15?/m1/s1
InChIKeyAVKSWXRYRFHGIF-KEKZHRQWSA-N
MW271.36 g/mol
LogP4.02
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 81399477) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
PubChem CID81399477
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCC(N[C@H](C)c1ccco1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H21NO2/c1-3-15(18-12(2)16-5-4-9-19-16)13-6-7-17-14(11-13)8-10-20-17/h4-7,9,11-12,15,18H,3,8,10H2,1-2H3/t12-,15?/m1/s1
InChIKeyAVKSWXRYRFHGIF-KEKZHRQWSA-N
XLogP4.02
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43754954
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]-6-methylheptan-2-amine
CID 43769265
1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81391321
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
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]pent-4-yn-2-amine
CID 115725246
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
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)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 61475275
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine (CID 81399477) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine is CCC(N[C@H](C)c1ccco1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is AVKSWXRYRFHGIF-KEKZHRQWSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-15(18-12(2)16-5-4-9-19-16)13-6-7-17-14(11-13)8-10-20-17/h4-7,9,11-12,15,18H,3,8,10H2,1-2H3/t12-,15?/m1/s1.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 4.02, 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-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81399477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).