1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol

C15H19ClN2O — CID 11773059

IUPAC1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol
SMILESCn1cccc1CCNCC(O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O/c1-18-9-3-6-14(18)7-8-17-11-15(19)12-4-2-5-13(16)10-12/h2-6,9-10,15,17,19H,7-8,11H2,1H3
InChIKeyPSHNISUXHGVKQT-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.54
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol

1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol (PubChem CID 11773059) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol
PubChem CID11773059
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol
SMILESCn1cccc1CCNCC(O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O/c1-18-9-3-6-14(18)7-8-17-11-15(19)12-4-2-5-13(16)10-12/h2-6,9-10,15,17,19H,7-8,11H2,1H3
InChIKeyPSHNISUXHGVKQT-UHFFFAOYSA-N
XLogP2.54
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol (CID 11773059) is 1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol is Cn1cccc1CCNCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol?
The InChIKey is PSHNISUXHGVKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-18-9-3-6-14(18)7-8-17-11-15(19)12-4-2-5-13(16)10-12/h2-6,9-10,15,17,19H,7-8,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol?
1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol has a molecular weight of 278.78 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol is sourced from PubChem (CID 11773059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).