2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride

C16H21ClN2O — CID 90375012

IUPAC2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride
SMILESCl.Nc1ccc(CCNc2ccccc2CCO)cc1
InChIInChI=1S/C16H20N2O.ClH/c17-15-7-5-13(6-8-15)9-11-18-16-4-2-1-3-14(16)10-12-19;/h1-8,18-19H,9-12,17H2;1H
InChIKeyDNFIPBDSJFFOHD-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.88
Rot. Bonds6

About 2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride

2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride (PubChem CID 90375012) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride
PubChem CID90375012
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride
SMILESCl.Nc1ccc(CCNc2ccccc2CCO)cc1
InChIInChI=1S/C16H20N2O.ClH/c17-15-7-5-13(6-8-15)9-11-18-16-4-2-1-3-14(16)10-12-19;/h1-8,18-19H,9-12,17H2;1H
InChIKeyDNFIPBDSJFFOHD-UHFFFAOYSA-N
XLogP2.88
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride?
The IUPAC name of 2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride (CID 90375012) is 2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride is Cl.Nc1ccc(CCNc2ccccc2CCO)cc1.
What is the InChIKey of 2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride?
The InChIKey is DNFIPBDSJFFOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c17-15-7-5-13(6-8-15)9-11-18-16-4-2-1-3-14(16)10-12-19;/h1-8,18-19H,9-12,17H2;1H.
What are the key properties of 2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride?
2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride is sourced from PubChem (CID 90375012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).