N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine

C23H24ClNO — CID 19806387

IUPACN-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine
SMILESClc1ccccc1CCNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24ClNO/c24-22-14-8-7-9-19(22)15-16-25-17-18-26-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-14,23,25H,15-18H2
InChIKeyGKTUTUDVZSDORU-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.28
Rot. Bonds9

About N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine

N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine (PubChem CID 19806387) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine
PubChem CID19806387
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC NameN-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine
SMILESClc1ccccc1CCNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24ClNO/c24-22-14-8-7-9-19(22)15-16-25-17-18-26-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-14,23,25H,15-18H2
InChIKeyGKTUTUDVZSDORU-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine?
The IUPAC name of N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine (CID 19806387) is N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine?
The canonical SMILES for N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine is Clc1ccccc1CCNCCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine?
The InChIKey is GKTUTUDVZSDORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO/c24-22-14-8-7-9-19(22)15-16-25-17-18-26-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-14,23,25H,15-18H2.
What are the key properties of N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine?
N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine has a molecular weight of 365.90 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-2-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 19806387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).