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

C16H27FN2O — CID 81074409

IUPACN'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)CCOCC)c1ccc(F)cc1
InChIInChI=1S/C16H27FN2O/c1-4-18-16(14-6-8-15(17)9-7-14)10-11-19(3)12-13-20-5-2/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyJNQCLGZWOAXACW-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.83
Rot. Bonds10

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

N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 81074409) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID81074409
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC NameN'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)CCOCC)c1ccc(F)cc1
InChIInChI=1S/C16H27FN2O/c1-4-18-16(14-6-8-15(17)9-7-14)10-11-19(3)12-13-20-5-2/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyJNQCLGZWOAXACW-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.83
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

1-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79376938
1-(4-bromophenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylpropane-1,3-diamine
CID 81074862
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 63484521
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 83126155
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 81074409) is N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine is CCNC(CCN(C)CCOCC)c1ccc(F)cc1.
What is the InChIKey of N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is JNQCLGZWOAXACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-18-16(14-6-8-15(17)9-7-14)10-11-19(3)12-13-20-5-2/h6-9,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 282.40 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 81074409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).