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

C13H21FN2 — CID 62635712

IUPACN'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC(C)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-4-16(3)10-9-15-11(2)12-5-7-13(14)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyDHCPXDGUGLUYEC-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.43
Rot. Bonds6

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

N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 62635712) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID62635712
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC(C)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-4-16(3)10-9-15-11(2)12-5-7-13(14)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyDHCPXDGUGLUYEC-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol
CID 62636904
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634676
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
CID 61014614
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
2-[1-(4-fluorophenyl)ethyl]-1,1-dimethylhydrazine
CID 83003219
4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
CID 43758274

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine (CID 62635712) is N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine is CCN(C)CCNC(C)c1ccc(F)cc1.
What is the InChIKey of N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is DHCPXDGUGLUYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-16(3)10-9-15-11(2)12-5-7-13(14)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62635712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).