N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

C14H22FNO — CID 105087874

IUPACN-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCCNC(COC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-5-16-13(10-17-14(2,3)4)11-6-8-12(15)9-7-11/h6-9,13,16H,5,10H2,1-4H3
InChIKeyHBSHCTIGWKDVDQ-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.29
Rot. Bonds5

About N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 105087874) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID105087874
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCCNC(COC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-5-16-13(10-17-14(2,3)4)11-6-8-12(15)9-7-11/h6-9,13,16H,5,10H2,1-4H3
InChIKeyHBSHCTIGWKDVDQ-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 105087874) is N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is CCNC(COC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is HBSHCTIGWKDVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-16-13(10-17-14(2,3)4)11-6-8-12(15)9-7-11/h6-9,13,16H,5,10H2,1-4H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 239.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 105087874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).