2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine

C11H16ClNO — CID 82550128

IUPAC2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(Cl)cc1CCNC
InChIInChI=1S/C11H16ClNO/c1-3-14-11-5-4-10(12)8-9(11)6-7-13-2/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyUGPRESCAHHRPFG-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.50
Rot. Bonds5

About 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine

2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine (PubChem CID 82550128) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
PubChem CID82550128
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(Cl)cc1CCNC
InChIInChI=1S/C11H16ClNO/c1-3-14-11-5-4-10(12)8-9(11)6-7-13-2/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyUGPRESCAHHRPFG-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine 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-(5-chloro-2-propoxyphenyl)-N-methylethanamine
CID 82550114
2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine
CID 83886558
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
3-(5-chloro-2-ethoxyphenyl)propanoyl chloride
CID 82041837
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine
CID 83893095
N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 75390139
4-[2-(5-chloro-2-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122032254
2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 83878523
2-[2-(5-chloro-2-ethoxyphenyl)ethyl]guanidine;hydroiodide
CID 109467659
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine
CID 109467901

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine (CID 82550128) is 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine is CCOc1ccc(Cl)cc1CCNC.
What is the InChIKey of 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine?
The InChIKey is UGPRESCAHHRPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-14-11-5-4-10(12)8-9(11)6-7-13-2/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine?
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82550128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).