4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline

C18H22FNO — CID 114829365

IUPAC4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline
SMILESCCOc1ccc(NC(C)Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H22FNO/c1-4-21-17-8-9-18(13(2)10-17)20-14(3)11-15-6-5-7-16(19)12-15/h5-10,12,14,20H,4,11H2,1-3H3
InChIKeyGETRJLZDNAOFIE-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.58
Rot. Bonds6

About 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline

4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline (PubChem CID 114829365) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline.

Molecular Properties

Compound Name4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline
PubChem CID114829365
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline
SMILESCCOc1ccc(NC(C)Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H22FNO/c1-4-21-17-8-9-18(13(2)10-17)20-14(3)11-15-6-5-7-16(19)12-15/h5-10,12,14,20H,4,11H2,1-3H3
InChIKeyGETRJLZDNAOFIE-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline 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

2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83974319
1-(4-ethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61099189
4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline
CID 115916635
2-bromo-N-[1-(3-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827902
4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 60936269
4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline
CID 79008767
N-(2,6-dimethylheptan-4-yl)-4-ethoxy-2-methylaniline
CID 63450960
1-N-[1-(3-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115921727
1-(3-ethoxyphenyl)-N-methylpropan-2-amine
CID 547093
3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114828733
N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 115928990
4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
CID 60935377

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline?
The IUPAC name of 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline (CID 114829365) is 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline.
What is the SMILES notation for 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline?
The canonical SMILES for 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline is CCOc1ccc(NC(C)Cc2cccc(F)c2)c(C)c1.
What is the InChIKey of 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline?
The InChIKey is GETRJLZDNAOFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-21-17-8-9-18(13(2)10-17)20-14(3)11-15-6-5-7-16(19)12-15/h5-10,12,14,20H,4,11H2,1-3H3.
What are the key properties of 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline?
4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline has a molecular weight of 287.38 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline is sourced from PubChem (CID 114829365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).