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

C11H14N2O — CID 66408062

IUPAC1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESCC(NCc1cc[nH]c1)c1ccco1
InChIInChI=1S/C11H14N2O/c1-9(11-3-2-6-14-11)13-8-10-4-5-12-7-10/h2-7,9,12-13H,8H2,1H3
InChIKeyBIQHORDGBMKQLU-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.46
Rot. Bonds4

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

1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 66408062) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID66408062
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESCC(NCc1cc[nH]c1)c1ccco1
InChIInChI=1S/C11H14N2O/c1-9(11-3-2-6-14-11)13-8-10-4-5-12-7-10/h2-7,9,12-13H,8H2,1H3
InChIKeyBIQHORDGBMKQLU-UHFFFAOYSA-N
XLogP2.46
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
1-(furan-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437580
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403532
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104928554
(1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81405590
N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
CID 81403321
(1S)-1-(furan-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81403202

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 66408062) is 1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is CC(NCc1cc[nH]c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is BIQHORDGBMKQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(11-3-2-6-14-11)13-8-10-4-5-12-7-10/h2-7,9,12-13H,8H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 190.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 66408062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).