N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

C13H20Cl2N2 — CID 55002707

IUPACN'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2/c1-10(2)8-17(6-5-16)9-11-3-4-12(14)7-13(11)15/h3-4,7,10H,5-6,8-9,16H2,1-2H3
InChIKeySFIDXSDHDGVAMZ-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.41
Rot. Bonds6

About N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55002707) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55002707
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC NameN'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2/c1-10(2)8-17(6-5-16)9-11-3-4-12(14)7-13(11)15/h3-4,7,10H,5-6,8-9,16H2,1-2H3
InChIKeySFIDXSDHDGVAMZ-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677
2-[[bis(3-methylbutyl)amino]methyl]-5-chloroaniline
CID 107869294
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460
N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-1-amine
CID 11623824
3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040409
4-[[bis(2-methylpropyl)amino]methyl]-3-chlorobenzenecarbothioamide
CID 102666086
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351
N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65323346
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 102667838

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine (CID 55002707) is N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is SFIDXSDHDGVAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-10(2)8-17(6-5-16)9-11-3-4-12(14)7-13(11)15/h3-4,7,10H,5-6,8-9,16H2,1-2H3.
What are the key properties of N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 275.22 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55002707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).