N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

C13H20Cl2N2 — CID 79645596

IUPACN'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(Cc1c(Cl)cccc1Cl)CC(C)(C)CN
InChIInChI=1S/C13H20Cl2N2/c1-13(2,8-16)9-17(3)7-10-11(14)5-4-6-12(10)15/h4-6H,7-9,16H2,1-3H3
InChIKeyFVVMJVRSJQHCLA-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.41
Rot. Bonds5

About N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79645596) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79645596
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC NameN'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(Cc1c(Cl)cccc1Cl)CC(C)(C)CN
InChIInChI=1S/C13H20Cl2N2/c1-13(2,8-16)9-17(3)7-10-11(14)5-4-6-12(10)15/h4-6H,7-9,16H2,1-3H3
InChIKeyFVVMJVRSJQHCLA-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
N'-[(2-chloro-3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 112652851
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N-[(2,6-dichlorophenyl)methyl]-N-methylethanamine
CID 60516634
N'-[(3-chloro-4-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 81155297
N'-[(4-chloro-2-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 120842834
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
N'-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 117045150
N',2,2-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine;hydrochloride
CID 119928729
2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 63388129

Frequently Asked Questions

What is the IUPAC name of N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (CID 79645596) is N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is CN(Cc1c(Cl)cccc1Cl)CC(C)(C)CN.
What is the InChIKey of N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is FVVMJVRSJQHCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-13(2,8-16)9-17(3)7-10-11(14)5-4-6-12(10)15/h4-6H,7-9,16H2,1-3H3.
What are the key properties of N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 275.22 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79645596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).