3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine

C16H18N2O — CID 65447083

IUPAC3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine
SMILESNc1ccncc1CCCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O/c17-15-6-8-18-11-14(15)3-1-2-12-4-5-16-13(10-12)7-9-19-16/h4-6,8,10-11H,1-3,7,9H2,(H2,17,18)
InChIKeyHEFKBXBQASFEDH-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.77
Rot. Bonds4

About 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine

3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine (PubChem CID 65447083) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine
PubChem CID65447083
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine
SMILESNc1ccncc1CCCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O/c17-15-6-8-18-11-14(15)3-1-2-12-4-5-16-13(10-12)7-9-19-16/h4-6,8,10-11H,1-3,7,9H2,(H2,17,18)
InChIKeyHEFKBXBQASFEDH-UHFFFAOYSA-N
XLogP2.77
TPSA48.14 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954973
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 105101170
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
CID 65446900
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine?
The IUPAC name of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine (CID 65447083) is 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine?
The canonical SMILES for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine is Nc1ccncc1CCCc1ccc2c(c1)CCO2.
What is the InChIKey of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine?
The InChIKey is HEFKBXBQASFEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-15-6-8-18-11-14(15)3-1-2-12-4-5-16-13(10-12)7-9-19-16/h4-6,8,10-11H,1-3,7,9H2,(H2,17,18).
What are the key properties of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine?
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine has a molecular weight of 254.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine is sourced from PubChem (CID 65447083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).