N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine

C14H23FN2O — CID 115251344

IUPACN'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCOc1ccc(N(C)CC(CC)CN)cc1F
InChIInChI=1S/C14H23FN2O/c1-4-11(9-16)10-17(3)12-6-7-14(18-5-2)13(15)8-12/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyCSWRXUCIYSTYRM-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.65
Rot. Bonds7

About N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine

N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 115251344) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine
PubChem CID115251344
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC NameN'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCOc1ccc(N(C)CC(CC)CN)cc1F
InChIInChI=1S/C14H23FN2O/c1-4-11(9-16)10-17(3)12-6-7-14(18-5-2)13(15)8-12/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyCSWRXUCIYSTYRM-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethoxy-3-fluoro-N-methylanilino)methyl]butanenitrile
CID 115253656
N'-(2,5-difluoro-4-methoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251390
3-N-[(4-ethoxy-3-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119848
4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide
CID 115155974
4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol
CID 115149430
4-(4-ethoxy-3-fluoro-N-methylanilino)butanoic acid
CID 115218534
2-ethyl-N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251725
2-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 120840428
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
2-ethyl-N'-methyl-N'-(4-propan-2-ylsulfanylphenyl)propane-1,3-diamine
CID 115251371
4-bromo-1-N-(4-ethoxy-3-fluorophenyl)-1-N-methylbenzene-1,2-diamine
CID 115125388
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251309

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine (CID 115251344) is N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine is CCOc1ccc(N(C)CC(CC)CN)cc1F.
What is the InChIKey of N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is CSWRXUCIYSTYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-11(9-16)10-17(3)12-6-7-14(18-5-2)13(15)8-12/h6-8,11H,4-5,9-10,16H2,1-3H3.
What are the key properties of N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine?
N'-(4-ethoxy-3-fluorophenyl)-2-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.65, 7 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-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115251344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).