N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine

C14H23FN2O — CID 62635886

IUPACN'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H23FN2O/c1-5-17(3)9-8-16-11(2)12-6-7-14(18-4)13(15)10-12/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyGWPLAEVIOSHXGO-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.44
Rot. Bonds7

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

N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 62635886) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID62635886
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC NameN'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H23FN2O/c1-5-17(3)9-8-16-11(2)12-6-7-14(18-4)13(15)10-12/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyGWPLAEVIOSHXGO-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 103780414
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634676
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635712
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634495
N-[1-(2,5-dimethoxyphenyl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635354
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine
CID 43100590
1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine (CID 62635886) is N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine is CCN(C)CCNC(C)c1ccc(OC)c(F)c1.
What is the InChIKey of N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is GWPLAEVIOSHXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-5-17(3)9-8-16-11(2)12-6-7-14(18-4)13(15)10-12/h6-7,10-11,16H,5,8-9H2,1-4H3.
What are the key properties of N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine?
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62635886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).