1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine

C14H22ClNO — CID 106858183

IUPAC1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1ccc(C)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-5-16-14(9-17-10(2)3)12-7-6-11(4)8-13(12)15/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyXVFLZANJZIVFOI-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.72
Rot. Bonds6

About 1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine

1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 106858183) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID106858183
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1ccc(C)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-5-16-14(9-17-10(2)3)12-7-6-11(4)8-13(12)15/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyXVFLZANJZIVFOI-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
1-(2-chloro-4-methylphenyl)-N-ethyloctan-1-amine
CID 106857215
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 106858043
1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106856990
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
CID 102981309
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106857381
1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine
CID 105008882
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575549
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine
CID 106857406
1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106858425

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine (CID 106858183) is 1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is XVFLZANJZIVFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-16-14(9-17-10(2)3)12-7-6-11(4)8-13(12)15/h6-8,10,14,16H,5,9H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine?
1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 255.79 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 106858183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).