4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine

C14H22FNO2 — CID 105122208

IUPAC4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCCOCCC(Cc1ccc(OC)c(F)c1)NC
InChIInChI=1S/C14H22FNO2/c1-4-18-8-7-12(16-2)9-11-5-6-14(17-3)13(15)10-11/h5-6,10,12,16H,4,7-9H2,1-3H3
InChIKeyNZCHXIXHCDLKER-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.39
Rot. Bonds8

About 4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine

4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine (PubChem CID 105122208) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
PubChem CID105122208
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCCOCCC(Cc1ccc(OC)c(F)c1)NC
InChIInChI=1S/C14H22FNO2/c1-4-18-8-7-12(16-2)9-11-5-6-14(17-3)13(15)10-11/h5-6,10,12,16H,4,7-9H2,1-3H3
InChIKeyNZCHXIXHCDLKER-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-difluoroethoxy)-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 103149423
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102928394
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105122233
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 115829566
1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine
CID 62600121
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142128
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987074
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
1-(3-bromo-4-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149747
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of 4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine (CID 105122208) is 4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine is CCOCCC(Cc1ccc(OC)c(F)c1)NC.
What is the InChIKey of 4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
The InChIKey is NZCHXIXHCDLKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-18-8-7-12(16-2)9-11-5-6-14(17-3)13(15)10-11/h5-6,10,12,16H,4,7-9H2,1-3H3.
What are the key properties of 4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine has a molecular weight of 255.33 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 105122208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).