2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine

C24H26ClNO — CID 134546018

IUPAC2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine
SMILESCCNCCOc1ccc(C(c2ccccc2)C(Cl)c2ccccc2)cc1
InChIInChI=1S/C24H26ClNO/c1-2-26-17-18-27-22-15-13-20(14-16-22)23(19-9-5-3-6-10-19)24(25)21-11-7-4-8-12-21/h3-16,23-24,26H,2,17-18H2,1H3
InChIKeyCUHJWELJWSZURL-UHFFFAOYSA-N
MW379.93 g/mol
LogP5.79
Rot. Bonds9

About 2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine

2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine (PubChem CID 134546018) has the molecular formula C24H26ClNO and a molecular weight of 379.93 g/mol. Its IUPAC name is 2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine
PubChem CID134546018
Molecular FormulaC24H26ClNO
Molecular Weight379.93 g/mol
Exact Mass379.17
IUPAC Name2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine
SMILESCCNCCOc1ccc(C(c2ccccc2)C(Cl)c2ccccc2)cc1
InChIInChI=1S/C24H26ClNO/c1-2-26-17-18-27-22-15-13-20(14-16-22)23(19-9-5-3-6-10-19)24(25)21-11-7-4-8-12-21/h3-16,23-24,26H,2,17-18H2,1H3
InChIKeyCUHJWELJWSZURL-UHFFFAOYSA-N
XLogP5.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.93
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine
CID 39291581
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine?
The IUPAC name of 2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine (CID 134546018) is 2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine?
The canonical SMILES for 2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine is CCNCCOc1ccc(C(c2ccccc2)C(Cl)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine?
The InChIKey is CUHJWELJWSZURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO/c1-2-26-17-18-27-22-15-13-20(14-16-22)23(19-9-5-3-6-10-19)24(25)21-11-7-4-8-12-21/h3-16,23-24,26H,2,17-18H2,1H3.
What are the key properties of 2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine?
2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine has a molecular weight of 379.93 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-1,2-diphenylethyl)phenoxy]-N-ethylethanamine is sourced from PubChem (CID 134546018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).