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

C14H19ClN2O — CID 2997379

IUPAC2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride
SMILESCl.Cn1cccc1CNCC(O)c1ccccc1
InChIInChI=1S/C14H18N2O.ClH/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;1H
InChIKeyBPPNXZGXRXLVKP-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.27
Rot. Bonds5

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

2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride (PubChem CID 2997379) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride
PubChem CID2997379
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride
SMILESCl.Cn1cccc1CNCC(O)c1ccccc1
InChIInChI=1S/C14H18N2O.ClH/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;1H
InChIKeyBPPNXZGXRXLVKP-UHFFFAOYSA-N
XLogP2.27
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.27
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;hydrochloride?
The IUPAC name of 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride (CID 2997379) is 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride is Cl.Cn1cccc1CNCC(O)c1ccccc1.
What is the InChIKey of 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is BPPNXZGXRXLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/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;1H.
What are the key properties of 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride?
2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 2.27, 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;hydrochloride is sourced from PubChem (CID 2997379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).