N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride

C22H24ClNO — CID 25094007

IUPACN-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride
SMILESCl.c1ccc(CCNOC(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO.ClH/c1-4-10-19(11-5-1)16-17-23-24-22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20;/h1-15,22-23H,16-18H2;1H
InChIKeyOPRUNIKYJKIXMU-UHFFFAOYSA-N
MW353.89 g/mol
LogP5.16
Rot. Bonds8

About N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride

N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride (PubChem CID 25094007) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride
PubChem CID25094007
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC NameN-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride
SMILESCl.c1ccc(CCNOC(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO.ClH/c1-4-10-19(11-5-1)16-17-23-24-22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20;/h1-15,22-23H,16-18H2;1H
InChIKeyOPRUNIKYJKIXMU-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
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CID 87553489
bis(1,2-diphenylethoxy)-oxophosphanium
CID 57192035
1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
bis(1,2-diphenylethyl) hydrogen phosphate
CID 175237263
3-methyl-1-phenyl-N-[(1R)-1-phenylbutoxy]butan-2-amine
CID 101004920
N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine
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1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride?
The IUPAC name of N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride (CID 25094007) is N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride.
What is the SMILES notation for N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride?
The canonical SMILES for N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride is Cl.c1ccc(CCNOC(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride?
The InChIKey is OPRUNIKYJKIXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO.ClH/c1-4-10-19(11-5-1)16-17-23-24-22(21-14-8-3-9-15-21)18-20-12-6-2-7-13-20;/h1-15,22-23H,16-18H2;1H.
What are the key properties of N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride?
N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 25094007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).