2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine

C11H14N2O — CID 66408059

IUPAC2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESc1coc(CCNCc2cc[nH]c2)c1
InChIInChI=1S/C11H14N2O/c1-2-11(14-7-1)4-6-13-9-10-3-5-12-8-10/h1-3,5,7-8,12-13H,4,6,9H2
InChIKeyCAGGTDYSYIZJKM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.94
Rot. Bonds5

About 2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine

2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 66408059) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID66408059
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESc1coc(CCNCc2cc[nH]c2)c1
InChIInChI=1S/C11H14N2O/c1-2-11(14-7-1)4-6-13-9-10-3-5-12-8-10/h1-3,5,7-8,12-13H,4,6,9H2
InChIKeyCAGGTDYSYIZJKM-UHFFFAOYSA-N
XLogP1.94
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
2-(furan-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43395504
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358
N-[(3-bromo-4-methylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 115875898
N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine
CID 113328695
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43395343
2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 43662572
3-[[2-(furan-2-yl)ethylamino]methyl]benzoic acid
CID 103242155
N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine
CID 60664542
2-(furan-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 43395395
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416789

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 66408059) is 2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is c1coc(CCNCc2cc[nH]c2)c1.
What is the InChIKey of 2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is CAGGTDYSYIZJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-11(14-7-1)4-6-13-9-10-3-5-12-8-10/h1-3,5,7-8,12-13H,4,6,9H2.
What are the key properties of 2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 190.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 66408059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).