N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine

C12H18Cl2N2 — CID 107442365

IUPACN'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1c(Cl)cccc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-8(2)9(6-15)7-16-12-10(13)4-3-5-11(12)14/h3-5,8-9,16H,6-7,15H2,1-2H3
InChIKeyMIXXQZWVKAQZGK-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.64
Rot. Bonds5

About N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine

N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442365) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442365
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC NameN'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1c(Cl)cccc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-8(2)9(6-15)7-16-12-10(13)4-3-5-11(12)14/h3-5,8-9,16H,6-7,15H2,1-2H3
InChIKeyMIXXQZWVKAQZGK-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 115252329
3-chloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142997
N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441412
N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442489
3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene
CID 143572824
N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine
CID 130604497
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
2-amino-3-(2,6-dichloroanilino)propanamide
CID 103252602
2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine
CID 107441483
N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441519
N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441924
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441517

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine (CID 107442365) is N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNc1c(Cl)cccc1Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is MIXXQZWVKAQZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-8(2)9(6-15)7-16-12-10(13)4-3-5-11(12)14/h3-5,8-9,16H,6-7,15H2,1-2H3.
What are the key properties of N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 261.20 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).