2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol

C14H18N2O — CID 2997380

IUPAC2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol
SMILESCn1cccc1CNCC(O)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-16-9-5-8-13(16)10-15-11-14(17)12-6-3-2-4-7-12/h2-9,14-15,17H,10-11H2,1H3
InChIKeyZNWCAPGISRJAOA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds5

About 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol

2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol (PubChem CID 2997380) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol
PubChem CID2997380
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol
SMILESCn1cccc1CNCC(O)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-16-9-5-8-13(16)10-15-11-14(17)12-6-3-2-4-7-12/h2-9,14-15,17H,10-11H2,1H3
InChIKeyZNWCAPGISRJAOA-UHFFFAOYSA-N
XLogP1.85
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol (CID 2997380) is 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol is Cn1cccc1CNCC(O)c1ccccc1.
What is the InChIKey of 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol?
The InChIKey is ZNWCAPGISRJAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-9-5-8-13(16)10-15-11-14(17)12-6-3-2-4-7-12/h2-9,14-15,17H,10-11H2,1H3.
What are the key properties of 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol?
2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol has a molecular weight of 230.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol is sourced from PubChem (CID 2997380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).