N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine

C14H20FNO2 — CID 112568281

IUPACN-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine
SMILESCCOc1ccc(NC2CCOC(C)C2)cc1F
InChIInChI=1S/C14H20FNO2/c1-3-17-14-5-4-11(9-13(14)15)16-12-6-7-18-10(2)8-12/h4-5,9-10,12,16H,3,6-8H2,1-2H3
InChIKeyMFUVQVIPHYBBGI-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.20
Rot. Bonds4

About N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine

N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine (PubChem CID 112568281) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine
PubChem CID112568281
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine
SMILESCCOc1ccc(NC2CCOC(C)C2)cc1F
InChIInChI=1S/C14H20FNO2/c1-3-17-14-5-4-11(9-13(14)15)16-12-6-7-18-10(2)8-12/h4-5,9-10,12,16H,3,6-8H2,1-2H3
InChIKeyMFUVQVIPHYBBGI-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine 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-(4-ethoxy-3-fluorophenyl)oxolan-3-amine
CID 115743254
N-(4-ethoxy-3-fluorophenyl)oxepan-4-amine
CID 115919016
N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine
CID 113354158
6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine
CID 103946830
(2R,4S)-N-(5-fluoro-2-prop-2-ynoxyphenyl)-2-methyloxan-4-amine
CID 125137131
(2R,4S)-N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-2-methyloxan-4-amine
CID 125141031
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
N-(4-ethoxy-3-fluorophenyl)spiro[3.5]nonan-3-amine
CID 102952301
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
3-fluoro-N-[(2S,4S)-2-methyloxan-4-yl]pyridin-2-amine
CID 129411560
N-(4-ethoxy-3-methoxyphenyl)-2-methyloxolan-3-amine
CID 82726780

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine (CID 112568281) is N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine is CCOc1ccc(NC2CCOC(C)C2)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine?
The InChIKey is MFUVQVIPHYBBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-17-14-5-4-11(9-13(14)15)16-12-6-7-18-10(2)8-12/h4-5,9-10,12,16H,3,6-8H2,1-2H3.
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine?
N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine has a molecular weight of 253.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-2-methyloxan-4-amine is sourced from PubChem (CID 112568281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).