3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol

C16H22N2O — CID 62475129

IUPAC3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol
SMILESCc1cc(CNC(C)c2cccc(O)c2)c(C)n1C
InChIInChI=1S/C16H22N2O/c1-11-8-15(13(3)18(11)4)10-17-12(2)14-6-5-7-16(19)9-14/h5-9,12,17,19H,10H2,1-4H3
InChIKeyKIPXOYRUTJQBCM-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.20
Rot. Bonds4

About 3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol

3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol (PubChem CID 62475129) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol
PubChem CID62475129
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol
SMILESCc1cc(CNC(C)c2cccc(O)c2)c(C)n1C
InChIInChI=1S/C16H22N2O/c1-11-8-15(13(3)18(11)4)10-17-12(2)14-6-5-7-16(19)9-14/h5-9,12,17,19H,10H2,1-4H3
InChIKeyKIPXOYRUTJQBCM-UHFFFAOYSA-N
XLogP3.20
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-([[(1H-Indol-2-yl)methyl]amino]methyl)phenol
CID 53619719
2-(N-(2-propynyl)-aminomethyl)-1-methyl-5-hydroxyindole
CID 131653
2-(1H-pyrrol-2-yl)phenol
CID 13725072
1-butyl-2-methyl-1H-indol-5-ol
CID 660970
2-(4-Hydroxyphenyl)-3-methyl-1-[6-(methylamino)hexyl]indol-5-ol
CID 15925652
3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
US9676701, 17 3-(5-((trans)-2-aminocyclopropyl)pyridin-2-yl)phenol dihydrochloride
CID 56652975
1-Methyl-5-(pyridin-3-yl)-1H-pyrrol-2-ol
CID 53919010
3-(4-{1-[3-(Dimethylamino)-2,2-dimethylpropyl]pyrrolidin-3-YL}pyridin-2-YL)phenol
CID 50975781
3-[[[1-(2-Pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol
CID 72025203
2-(4-Hydroxyphenyl)-3-methyl-1-[4-(methylamino)butyl]indol-5-ol
CID 127049794
2-(4-Hydroxyphenyl)-3-methyl-1-[5-(methylamino)pentyl]indol-5-ol
CID 127049795

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol?
The IUPAC name of 3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol (CID 62475129) is 3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol is Cc1cc(CNC(C)c2cccc(O)c2)c(C)n1C.
What is the InChIKey of 3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol?
The InChIKey is KIPXOYRUTJQBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-8-15(13(3)18(11)4)10-17-12(2)14-6-5-7-16(19)9-14/h5-9,12,17,19H,10H2,1-4H3.
What are the key properties of 3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol?
3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol has a molecular weight of 258.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 62475129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).