1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine

C15H22N2O — CID 62475299

IUPAC1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)Cc2ccco2)c(C)n1C
InChIInChI=1S/C15H22N2O/c1-11(8-15-6-5-7-18-15)16-10-14-9-12(2)17(4)13(14)3/h5-7,9,11,16H,8,10H2,1-4H3
InChIKeyJKKSKSHPBGFMBY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.96
Rot. Bonds5

About 1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine

1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine (PubChem CID 62475299) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine
PubChem CID62475299
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)Cc2ccco2)c(C)n1C
InChIInChI=1S/C15H22N2O/c1-11(8-15-6-5-7-18-15)16-10-14-9-12(2)17(4)13(14)3/h5-7,9,11,16H,8,10H2,1-4H3
InChIKeyJKKSKSHPBGFMBY-UHFFFAOYSA-N
XLogP2.96
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43783211
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029
(2S)-1-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 93264764
1-(furan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 66398533
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 104791634
2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline
CID 115413933
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 64540987
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 63085668
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
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

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine (CID 62475299) is 1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine is Cc1cc(CNC(C)Cc2ccco2)c(C)n1C.
What is the InChIKey of 1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine?
The InChIKey is JKKSKSHPBGFMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(8-15-6-5-7-18-15)16-10-14-9-12(2)17(4)13(14)3/h5-7,9,11,16H,8,10H2,1-4H3.
What are the key properties of 1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine?
1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 62475299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).