(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine

C17H20N2O — CID 81406233

IUPAC(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@H](C)c1ccncc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H20N2O/c1-12(14-5-8-18-9-6-14)19-13(2)15-3-4-17-16(11-15)7-10-20-17/h3-6,8-9,11-13,19H,7,10H2,1-2H3/t12-,13?/m1/s1
InChIKeyXIVVUDRVWALUCH-PZORYLMUSA-N
MW268.36 g/mol
LogP3.43
Rot. Bonds4

About (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine

(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 81406233) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID81406233
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@H](C)c1ccncc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H20N2O/c1-12(14-5-8-18-9-6-14)19-13(2)15-3-4-17-16(11-15)7-10-20-17/h3-6,8-9,11-13,19H,7,10H2,1-2H3/t12-,13?/m1/s1
InChIKeyXIVVUDRVWALUCH-PZORYLMUSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347474
(1S)-1-(3-bromophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81382292
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62842384
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473512
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 81379156

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine (CID 81406233) is (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine is CC(N[C@H](C)c1ccncc1)c1ccc2c(c1)CCO2.
What is the InChIKey of (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is XIVVUDRVWALUCH-PZORYLMUSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(14-5-8-18-9-6-14)19-13(2)15-3-4-17-16(11-15)7-10-20-17/h3-6,8-9,11-13,19H,7,10H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine?
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 268.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81406233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).