N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine

C14H20N2O — CID 66416684

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCCn1ccc(CNC(C)Cc2ccco2)c1
InChIInChI=1S/C14H20N2O/c1-3-16-7-6-13(11-16)10-15-12(2)9-14-5-4-8-17-14/h4-8,11-12,15H,3,9-10H2,1-2H3
InChIKeyBAVMYCUSHYHFOQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.82
Rot. Bonds6

About N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine

N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 66416684) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
PubChem CID66416684
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCCn1ccc(CNC(C)Cc2ccco2)c1
InChIInChI=1S/C14H20N2O/c1-3-16-7-6-13(11-16)10-15-12(2)9-14-5-4-8-17-14/h4-8,11-12,15H,3,9-10H2,1-2H3
InChIKeyBAVMYCUSHYHFOQ-UHFFFAOYSA-N
XLogP2.82
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 66398533
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432860
(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine
CID 51683296
1-(furan-2-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43783211
1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
CID 64771807
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 79710171
N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 113454136

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine (CID 66416684) is N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine is CCn1ccc(CNC(C)Cc2ccco2)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is BAVMYCUSHYHFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-16-7-6-13(11-16)10-15-12(2)9-14-5-4-8-17-14/h4-8,11-12,15H,3,9-10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine?
N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 66416684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).