2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol

C11H20N2O2 — CID 106187879

IUPAC2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol
SMILESCCn1cccc1CNC(CO)COC
InChIInChI=1S/C11H20N2O2/c1-3-13-6-4-5-11(13)7-12-10(8-14)9-15-2/h4-6,10,12,14H,3,7-9H2,1-2H3
InChIKeyPHEBYHSUNRAJJL-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.60
Rot. Bonds7

About 2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol

2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol (PubChem CID 106187879) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol
PubChem CID106187879
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol
SMILESCCn1cccc1CNC(CO)COC
InChIInChI=1S/C11H20N2O2/c1-3-13-6-4-5-11(13)7-12-10(8-14)9-15-2/h4-6,10,12,14H,3,7-9H2,1-2H3
InChIKeyPHEBYHSUNRAJJL-UHFFFAOYSA-N
XLogP0.60
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine
CID 66411115
1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
CID 114211275
2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol
CID 106187895
3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol
CID 106190329
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
CID 106186173
N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 66132621
(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81359776
(1R)-1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81351998
1-cyclopentyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 66445595
3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol
CID 106187372

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol (CID 106187879) is 2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol is CCn1cccc1CNC(CO)COC.
What is the InChIKey of 2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol?
The InChIKey is PHEBYHSUNRAJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-13-6-4-5-11(13)7-12-10(8-14)9-15-2/h4-6,10,12,14H,3,7-9H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol?
2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrol-2-yl)methylamino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106187879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).