[4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol

C15H20N2O — CID 113397661

IUPAC[4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol
SMILESCc1cc(CNc2ccc(CO)cc2)c(C)n1C
InChIInChI=1S/C15H20N2O/c1-11-8-14(12(2)17(11)3)9-16-15-6-4-13(10-18)5-7-15/h4-8,16,18H,9-10H2,1-3H3
InChIKeyHELWPMUEWYPMOM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds4

About [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol

[4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol (PubChem CID 113397661) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol
PubChem CID113397661
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol
SMILESCc1cc(CNc2ccc(CO)cc2)c(C)n1C
InChIInChI=1S/C15H20N2O/c1-11-8-14(12(2)17(11)3)9-16-15-6-4-13(10-18)5-7-15/h4-8,16,18H,9-10H2,1-3H3
InChIKeyHELWPMUEWYPMOM-UHFFFAOYSA-N
XLogP2.75
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol with MolForge

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Related Compounds

4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919
[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol
CID 115777910
3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376878
2-chloro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzoic acid
CID 62474405
N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62473115
4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473499
6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473129
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308
3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376184
2,4,6-trimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474954
4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 79612301
4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 55080855

Frequently Asked Questions

What is the IUPAC name of [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol?
The IUPAC name of [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol (CID 113397661) is [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol?
The canonical SMILES for [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol is Cc1cc(CNc2ccc(CO)cc2)c(C)n1C.
What is the InChIKey of [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol?
The InChIKey is HELWPMUEWYPMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-8-14(12(2)17(11)3)9-16-15-6-4-13(10-18)5-7-15/h4-8,16,18H,9-10H2,1-3H3.
What are the key properties of [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol?
[4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol has a molecular weight of 244.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 113397661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).