N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine

C11H14N2O — CID 106888311

IUPACN-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccc[nH]1
InChIInChI=1S/C11H14N2O/c1-2-12-8-11-9(5-7-14-11)10-4-3-6-13-10/h3-7,12-13H,2,8H2,1H3
InChIKeyVXWMBYPASVTCKQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.38
Rot. Bonds4

About N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine

N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine (PubChem CID 106888311) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine
PubChem CID106888311
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccc[nH]1
InChIInChI=1S/C11H14N2O/c1-2-12-8-11-9(5-7-14-11)10-4-3-6-13-10/h3-7,12-13H,2,8H2,1H3
InChIKeyVXWMBYPASVTCKQ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine
CID 106888309
N-[[3-(furan-2-yl)furan-2-yl]methyl]ethanamine
CID 106887249
N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine
CID 106887400
N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine
CID 106888958
N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine
CID 106887171
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine
CID 106887026
N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887708
2-(ethylaminomethyl)furan-3-carbonitrile
CID 106887931
N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106888969
N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine
CID 106888690
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine
CID 106888210
N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine
CID 106887200

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine (CID 106888311) is N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine is CCNCc1occc1-c1ccc[nH]1.
What is the InChIKey of N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine?
The InChIKey is VXWMBYPASVTCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-12-8-11-9(5-7-14-11)10-4-3-6-13-10/h3-7,12-13H,2,8H2,1H3.
What are the key properties of N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine?
N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine has a molecular weight of 190.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106888311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).