1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine

C13H19ClFNO — CID 79575549

IUPAC1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H19ClFNO/c1-4-16-13(8-17-9(2)3)10-5-6-12(15)11(14)7-10/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyZQCOOUFZNNGIAQ-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.55
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine

1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 79575549) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID79575549
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H19ClFNO/c1-4-16-13(8-17-9(2)3)10-5-6-12(15)11(14)7-10/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyZQCOOUFZNNGIAQ-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine 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

1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
1-(3-chloro-4-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 79575550
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 79575664
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine
CID 118021269
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013094
1-(2,5-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575096
N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 105013108
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 63418184
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219
[1-(3,4-dichlorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105257205

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine (CID 79575549) is 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is ZQCOOUFZNNGIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-4-16-13(8-17-9(2)3)10-5-6-12(15)11(14)7-10/h5-7,9,13,16H,4,8H2,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 259.75 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 79575549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).