2-(2-chloro-5-methylphenoxy)-2-phenylethanamine

C15H16ClNO — CID 55017590

IUPAC2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
SMILESCc1ccc(Cl)c(OC(CN)c2ccccc2)c1
InChIInChI=1S/C15H16ClNO/c1-11-7-8-13(16)14(9-11)18-15(10-17)12-5-3-2-4-6-12/h2-9,15H,10,17H2,1H3
InChIKeyVZARWCXRJXZFAD-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.73
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine

2-(2-chloro-5-methylphenoxy)-2-phenylethanamine (PubChem CID 55017590) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
PubChem CID55017590
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
SMILESCc1ccc(Cl)c(OC(CN)c2ccccc2)c1
InChIInChI=1S/C15H16ClNO/c1-11-7-8-13(16)14(9-11)18-15(10-17)12-5-3-2-4-6-12/h2-9,15H,10,17H2,1H3
InChIKeyVZARWCXRJXZFAD-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020668
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
2-(2-fluoro-5-methylphenoxy)-2-phenylethanamine
CID 64854414
2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
CID 55019513
N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63495954
2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine
CID 55104475
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229
3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline
CID 61262210
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
2-phenyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 55017685
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
CID 55020468
2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine (CID 55017590) is 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine is Cc1ccc(Cl)c(OC(CN)c2ccccc2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine?
The InChIKey is VZARWCXRJXZFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-7-8-13(16)14(9-11)18-15(10-17)12-5-3-2-4-6-12/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine?
2-(2-chloro-5-methylphenoxy)-2-phenylethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-2-phenylethanamine is sourced from PubChem (CID 55017590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).