N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine

C13H21FN2O — CID 115195519

IUPACN'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCOc1ccc(CCN(C)CCN)cc1F
InChIInChI=1S/C13H21FN2O/c1-3-17-13-5-4-11(10-12(13)14)6-8-16(2)9-7-15/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyJNZHWOBAKPXBSO-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.66
Rot. Bonds7

About N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine

N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 115195519) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID115195519
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCOc1ccc(CCN(C)CCN)cc1F
InChIInChI=1S/C13H21FN2O/c1-3-17-13-5-4-11(10-12(13)14)6-8-16(2)9-7-15/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyJNZHWOBAKPXBSO-UHFFFAOYSA-N
XLogP1.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-ethoxy-3-fluorophenyl)ethyl-methylamino]butan-2-one
CID 115236051
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261243
3-N-[(4-ethoxy-3-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119848
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701
5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline
CID 82256202
2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261118
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
2-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 120840428
2-ethyl-N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251725

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine (CID 115195519) is N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine is CCOc1ccc(CCN(C)CCN)cc1F.
What is the InChIKey of N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is JNZHWOBAKPXBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-17-13-5-4-11(10-12(13)14)6-8-16(2)9-7-15/h4-5,10H,3,6-9,15H2,1-2H3.
What are the key properties of N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115195519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).