N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C15H24F2N2 — CID 79659974

IUPACN'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cccc(F)c1F)CC(C)(C)CN
InChIInChI=1S/C15H24F2N2/c1-4-8-19(11-15(2,3)10-18)9-12-6-5-7-13(16)14(12)17/h5-7H,4,8-11,18H2,1-3H3
InChIKeyMWLSYJWZMGRZFS-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.16
Rot. Bonds7

About N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79659974) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79659974
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cccc(F)c1F)CC(C)(C)CN
InChIInChI=1S/C15H24F2N2/c1-4-8-19(11-15(2,3)10-18)9-12-6-5-7-13(16)14(12)17/h5-7H,4,8-11,18H2,1-3H3
InChIKeyMWLSYJWZMGRZFS-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-fluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667717
2,2-dimethyl-N'-[(2-nitrophenyl)methyl]-N'-propylpropane-1,3-diamine
CID 79667471
2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79662734
N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668044
2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 107347369
2,2-dimethyl-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 79668381
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-methoxyphenol
CID 79668627
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
N'-[[3-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668545
N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661676
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
CID 79668470
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile
CID 79662117

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79659974) is N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(Cc1cccc(F)c1F)CC(C)(C)CN.
What is the InChIKey of N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is MWLSYJWZMGRZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-4-8-19(11-15(2,3)10-18)9-12-6-5-7-13(16)14(12)17/h5-7H,4,8-11,18H2,1-3H3.
What are the key properties of N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 270.37 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79659974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).