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

C16H20N2O — CID 52953008

IUPAC(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol
SMILESNc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C16H20N2O/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/t16-/m0/s1
InChIKeyTUAHDMSPHZSMQN-INIZCTEOSA-N
MW256.35 g/mol
LogP2.13
Rot. Bonds6

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

(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol (PubChem CID 52953008) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol
PubChem CID52953008
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol
SMILESNc1ccc(CCNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C16H20N2O/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/t16-/m0/s1
InChIKeyTUAHDMSPHZSMQN-INIZCTEOSA-N
XLogP2.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.13
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'}

Analyze (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol (CID 52953008) is (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol is Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1.
What is the InChIKey of (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol?
The InChIKey is TUAHDMSPHZSMQN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2O/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/t16-/m0/s1.
What are the key properties of (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol?
(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol has a molecular weight of 256.35 g/mol, XLogP of 2.13, 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 is sourced from PubChem (CID 52953008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).