N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine

C14H22FNO — CID 63066393

IUPACN-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCC(C)C
InChIInChI=1S/C14H22FNO/c1-5-16-11(4)13-7-6-12(15)8-14(13)17-9-10(2)3/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyCIWCVZCEHFHAPC-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.53
Rot. Bonds6

About N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine

N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 63066393) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
PubChem CID63066393
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCC(C)C
InChIInChI=1S/C14H22FNO/c1-5-16-11(4)13-7-6-12(15)8-14(13)17-9-10(2)3/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyCIWCVZCEHFHAPC-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine 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

N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
CID 63487243
N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 63065873
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
N-ethyl-1-[4-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63265153
N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065863

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine (CID 63066393) is N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine is CCNC(C)c1ccc(F)cc1OCC(C)C.
What is the InChIKey of N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is CIWCVZCEHFHAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-16-11(4)13-7-6-12(15)8-14(13)17-9-10(2)3/h6-8,10-11,16H,5,9H2,1-4H3.
What are the key properties of N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine?
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 239.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 63066393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).