N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H25F2N3 — CID 107522172

IUPACN'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(N)c1ccc(F)cc1F
InChIInChI=1S/C15H25F2N3/c1-4-20(9-5-8-19(2)3)11-15(18)13-7-6-12(16)10-14(13)17/h6-7,10,15H,4-5,8-9,11,18H2,1-3H3
InChIKeyHFHQWNZFTQATLF-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.24
Rot. Bonds8

About N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 107522172) has the molecular formula C15H25F2N3 and a molecular weight of 285.38 g/mol. Its IUPAC name is N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID107522172
Molecular FormulaC15H25F2N3
Molecular Weight285.38 g/mol
Exact Mass285.20
IUPAC NameN'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(N)c1ccc(F)cc1F
InChIInChI=1S/C15H25F2N3/c1-4-20(9-5-8-19(2)3)11-15(18)13-7-6-12(16)10-14(13)17/h6-7,10,15H,4-5,8-9,11,18H2,1-3H3
InChIKeyHFHQWNZFTQATLF-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-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 107520337
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 107520140
1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 107521267
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519950
3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244099
N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 18070854
1-(2,4-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 107520727
N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107520835
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 107522172) is N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)CC(N)c1ccc(F)cc1F.
What is the InChIKey of N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is HFHQWNZFTQATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3/c1-4-20(9-5-8-19(2)3)11-15(18)13-7-6-12(16)10-14(13)17/h6-7,10,15H,4-5,8-9,11,18H2,1-3H3.
What are the key properties of N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-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 N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 107522172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).