1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine

C16H25F2N3 — CID 107522113

IUPAC1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CC(N)c1ccc(F)cc1F)CC1(N(C)C)CCC1
InChIInChI=1S/C16H25F2N3/c1-20(2)16(7-4-8-16)11-21(3)10-15(19)13-6-5-12(17)9-14(13)18/h5-6,9,15H,4,7-8,10-11,19H2,1-3H3
InChIKeyBXTNAKMDQPCZDP-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.38
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine

1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 107522113) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
PubChem CID107522113
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CC(N)c1ccc(F)cc1F)CC1(N(C)C)CCC1
InChIInChI=1S/C16H25F2N3/c1-20(2)16(7-4-8-16)11-21(3)10-15(19)13-6-5-12(17)9-14(13)18/h5-6,9,15H,4,7-8,10-11,19H2,1-3H3
InChIKeyBXTNAKMDQPCZDP-UHFFFAOYSA-N
XLogP2.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 105414536
N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107520835
1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151
N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 105414502
1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519950
1-(2,4-difluorophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 107519684
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107522172
1-(2,4-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 107520727
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol
CID 105415694
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine (CID 107522113) is 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine is CN(CC(N)c1ccc(F)cc1F)CC1(N(C)C)CCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is BXTNAKMDQPCZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-20(2)16(7-4-8-16)11-21(3)10-15(19)13-6-5-12(17)9-14(13)18/h5-6,9,15H,4,7-8,10-11,19H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine?
1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 297.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107522113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).