N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine

C16H18N2O — CID 51695445

IUPACN-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
SMILESCCN[C@H](c1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O/c1-2-18-16(14-4-3-8-17-11-14)13-5-6-15-12(10-13)7-9-19-15/h3-6,8,10-11,16,18H,2,7,9H2,1H3/t16-/m0/s1
InChIKeyUCBLGCWQRIKADO-INIZCTEOSA-N
MW254.33 g/mol
LogP2.72
Rot. Bonds4

About N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine

N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine (PubChem CID 51695445) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
PubChem CID51695445
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
SMILESCCN[C@H](c1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O/c1-2-18-16(14-4-3-8-17-11-14)13-5-6-15-12(10-13)7-9-19-15/h3-6,8,10-11,16,18H,2,7,9H2,1H3/t16-/m0/s1
InChIKeyUCBLGCWQRIKADO-INIZCTEOSA-N
XLogP2.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-yl)methyl]ethanamine
CID 43490467
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104542511
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510
N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine
CID 104542545
N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105180168
N-[2,3-dihydro-1-benzofuran-5-yl(2H-triazol-4-yl)methyl]ethanamine
CID 113425125
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500
N-[(3-chloro-4-iodophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 103216192
N-[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63209957
N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine
CID 61330790
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187

Frequently Asked Questions

What is the IUPAC name of N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine (CID 51695445) is N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine is CCN[C@H](c1cccnc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine?
The InChIKey is UCBLGCWQRIKADO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-18-16(14-4-3-8-17-11-14)13-5-6-15-12(10-13)7-9-19-15/h3-6,8,10-11,16,18H,2,7,9H2,1H3/t16-/m0/s1.
What are the key properties of N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine?
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine has a molecular weight of 254.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine is sourced from PubChem (CID 51695445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).