2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol

C15H20N2O — CID 110880251

IUPAC2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
SMILESCn1cccc1CN(CCO)Cc1ccccc1
InChIInChI=1S/C15H20N2O/c1-16-9-5-8-15(16)13-17(10-11-18)12-14-6-3-2-4-7-14/h2-9,18H,10-13H2,1H3
InChIKeyVWHZGSACVFBITG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.02
Rot. Bonds6

About 2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol

2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol (PubChem CID 110880251) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
PubChem CID110880251
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
SMILESCn1cccc1CN(CCO)Cc1ccccc1
InChIInChI=1S/C15H20N2O/c1-16-9-5-8-15(16)13-17(10-11-18)12-14-6-3-2-4-7-14/h2-9,18H,10-13H2,1H3
InChIKeyVWHZGSACVFBITG-UHFFFAOYSA-N
XLogP2.02
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 62115833
4-[2-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrol-1-yl]benzonitrile
CID 3429748
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
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CID 20674857
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CID 14800643
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 42794999
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[benzyl(pent-3-ynyl)amino]ethanol
CID 104748242
2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol
CID 82853015
2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
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CID 80601443

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol (CID 110880251) is 2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol is Cn1cccc1CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol?
The InChIKey is VWHZGSACVFBITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-9-5-8-15(16)13-17(10-11-18)12-14-6-3-2-4-7-14/h2-9,18H,10-13H2,1H3.
What are the key properties of 2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol?
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol has a molecular weight of 244.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 110880251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).