1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine

C12H22N2O — CID 112591094

IUPAC1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine
SMILESCC(N)c1ccn(CCOC(C)(C)C)c1
InChIInChI=1S/C12H22N2O/c1-10(13)11-5-6-14(9-11)7-8-15-12(2,3)4/h5-6,9-10H,7-8,13H2,1-4H3
InChIKeyMPGWHBLXXXFPDP-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.32
Rot. Bonds4

About 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine

1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine (PubChem CID 112591094) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine
PubChem CID112591094
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine
SMILESCC(N)c1ccn(CCOC(C)(C)C)c1
InChIInChI=1S/C12H22N2O/c1-10(13)11-5-6-14(9-11)7-8-15-12(2,3)4/h5-6,9-10H,7-8,13H2,1-4H3
InChIKeyMPGWHBLXXXFPDP-UHFFFAOYSA-N
XLogP2.32
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]ethanamine
CID 103034988
cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol
CID 112591034
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one
CID 112589434
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
6-[3-(1-aminoethyl)pyrrol-1-yl]-2,2-dimethylhexanenitrile
CID 106713566
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79096865
1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine
CID 79102391
1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]ethanamine
CID 79101803
4-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]-2,2-dimethylbutanenitrile
CID 79097038
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine?
The IUPAC name of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine (CID 112591094) is 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine is CC(N)c1ccn(CCOC(C)(C)C)c1.
What is the InChIKey of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine?
The InChIKey is MPGWHBLXXXFPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(13)11-5-6-14(9-11)7-8-15-12(2,3)4/h5-6,9-10H,7-8,13H2,1-4H3.
What are the key properties of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine?
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine has a molecular weight of 210.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 112591094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).