1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine

C15H25F2N3 — CID 106528613

IUPAC1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C15H25F2N3/c1-4-5-20(7-6-19(2)3)15(11-18)12-8-13(16)10-14(17)9-12/h8-10,15H,4-7,11,18H2,1-3H3
InChIKeyFORZSOPGBZDJMM-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.24
Rot. Bonds8

About 1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine

1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine (PubChem CID 106528613) has the molecular formula C15H25F2N3 and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
PubChem CID106528613
Molecular FormulaC15H25F2N3
Molecular Weight285.38 g/mol
Exact Mass285.20
IUPAC Name1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C15H25F2N3/c1-4-5-20(7-6-19(2)3)15(11-18)12-8-13(16)10-14(17)9-12/h8-10,15H,4-7,11,18H2,1-3H3
InChIKeyFORZSOPGBZDJMM-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 66473046
1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 106528666
N-[2-(dimethylamino)ethyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115350857
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-N-propylethane-1,2-diamine
CID 115350824
1-(4-bromo-5-methylthiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 102838940
1-(3-chloro-4-fluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 81145990
1-(3,5-difluorophenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 106528519
1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 16794999
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 106528505
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106528761
1-(3-chloro-5-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 114453248

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine (CID 106528613) is 1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine is CCCN(CCN(C)C)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine?
The InChIKey is FORZSOPGBZDJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3/c1-4-5-20(7-6-19(2)3)15(11-18)12-8-13(16)10-14(17)9-12/h8-10,15H,4-7,11,18H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine?
1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine has a molecular weight of 285.38 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 106528613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).