2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine

C16H26ClNO2 — CID 62583039

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Oc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C16H26ClNO2/c1-11(2)14-9-15(17)12(3)8-16(14)20-13(4)10-18-6-7-19-5/h8-9,11,13,18H,6-7,10H2,1-5H3
InChIKeyJNTPPOHWUSGAIL-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.78
Rot. Bonds8

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62583039) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine
PubChem CID62583039
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Oc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C16H26ClNO2/c1-11(2)14-9-15(17)12(3)8-16(14)20-13(4)10-18-6-7-19-5/h8-9,11,13,18H,6-7,10H2,1-5H3
InChIKeyJNTPPOHWUSGAIL-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
N-(2-methoxyethyl)-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 55092907
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571399
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 63516251
4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
CID 142636108
2-(4-bromo-3-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 83140097
2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571165
1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 106818725
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63517705

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine (CID 62583039) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)Oc1cc(C)c(Cl)cc1C(C)C.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is JNTPPOHWUSGAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-11(2)14-9-15(17)12(3)8-16(14)20-13(4)10-18-6-7-19-5/h8-9,11,13,18H,6-7,10H2,1-5H3.
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62583039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).