(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride

C16H21ClN2O — CID 52953007

IUPAC(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride
SMILESCl.Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C16H20N2O.ClH/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14;/h1-9,16,18-19H,10-12,17H2;1H/t16-;/m0./s1
InChIKeyQILVTBCJVNFIDP-NTISSMGPSA-N
MW292.81 g/mol
LogP2.56
Rot. Bonds6

About (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride

(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride (PubChem CID 52953007) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride
PubChem CID52953007
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride
SMILESCl.Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C16H20N2O.ClH/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14;/h1-9,16,18-19H,10-12,17H2;1H/t16-;/m0./s1
InChIKeyQILVTBCJVNFIDP-NTISSMGPSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride (CID 52953007) is (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride is Cl.Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1.
What is the InChIKey of (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride?
The InChIKey is QILVTBCJVNFIDP-NTISSMGPSA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14;/h1-9,16,18-19H,10-12,17H2;1H/t16-;/m0./s1.
What are the key properties of (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride?
(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 52953007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).