N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

C13H20F2N2 — CID 79645329

IUPACN'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(Cc1ccc(F)cc1F)CC(C)(C)CN
InChIInChI=1S/C13H20F2N2/c1-13(2,8-16)9-17(3)7-10-4-5-11(14)6-12(10)15/h4-6H,7-9,16H2,1-3H3
InChIKeyCTCKAYSPZIOXHP-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.38
Rot. Bonds5

About N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79645329) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79645329
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC NameN'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(Cc1ccc(F)cc1F)CC(C)(C)CN
InChIInChI=1S/C13H20F2N2/c1-13(2,8-16)9-17(3)7-10-4-5-11(14)6-12(10)15/h4-6H,7-9,16H2,1-3H3
InChIKeyCTCKAYSPZIOXHP-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-chloro-2-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 120842834
N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660658
N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 115200256
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199918
3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119850
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
N'-[(3-chloro-4-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 81155297
N'-[(2-chloro-3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 112652851
N'-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 117045150
N'-[(4-bromo-2-fluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660769
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N'-[(3-bromo-5-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79702116

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (CID 79645329) is N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is CN(Cc1ccc(F)cc1F)CC(C)(C)CN.
What is the InChIKey of N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is CTCKAYSPZIOXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-13(2,8-16)9-17(3)7-10-4-5-11(14)6-12(10)15/h4-6H,7-9,16H2,1-3H3.
What are the key properties of N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79645329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).