2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine

C13H20ClNO — CID 62584526

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
SMILESCNCCOc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C13H20ClNO/c1-9(2)11-8-12(14)10(3)7-13(11)16-6-5-15-4/h7-9,15H,5-6H2,1-4H3
InChIKeyJSGYEWIAJWBLKG-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.37
Rot. Bonds5

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine (PubChem CID 62584526) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
PubChem CID62584526
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
SMILESCNCCOc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C13H20ClNO/c1-9(2)11-8-12(14)10(3)7-13(11)16-6-5-15-4/h7-9,15H,5-6H2,1-4H3
InChIKeyJSGYEWIAJWBLKG-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.37
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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Related Compounds

N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 63516251
2-methyl-5-[2-(methylamino)ethoxy]-4-propan-2-ylphenol
CID 70482477
1-(3-bromopropoxy)-4-chloro-5-methyl-2-propan-2-ylbenzene
CID 154267384
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]oxan-4-amine
CID 63100218
2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]guanidine
CID 158736954
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62583039
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride
CID 2992990
1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol
CID 47007175
3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
CID 83937747
6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
CID 83937721

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine (CID 62584526) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine is CNCCOc1cc(C)c(Cl)cc1C(C)C.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine?
The InChIKey is JSGYEWIAJWBLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-9(2)11-8-12(14)10(3)7-13(11)16-6-5-15-4/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine has a molecular weight of 241.76 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine is sourced from PubChem (CID 62584526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).