N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

C13H20Cl2N2 — CID 107442697

IUPACN'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(Cl)c(NCC(CN)C(C)C)cc1Cl
InChIInChI=1S/C13H20Cl2N2/c1-8(2)10(6-16)7-17-13-5-11(14)9(3)4-12(13)15/h4-5,8,10,17H,6-7,16H2,1-3H3
InChIKeyPRLSCIBACPUPEK-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.94
Rot. Bonds5

About N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442697) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442697
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC NameN'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(Cl)c(NCC(CN)C(C)C)cc1Cl
InChIInChI=1S/C13H20Cl2N2/c1-8(2)10(6-16)7-17-13-5-11(14)9(3)4-12(13)15/h4-5,8,10,17H,6-7,16H2,1-3H3
InChIKeyPRLSCIBACPUPEK-UHFFFAOYSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442489
1-(2,5-dichloro-4-methylanilino)butan-2-ol
CID 104726754
4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide
CID 104727149
N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252336
N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442365
methyl 2-bromo-3-(2,5-dichloro-4-methylanilino)propanoate
CID 103265018
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
methyl 2-[[2-(aminomethyl)-3-methylbutyl]amino]-5-chlorobenzoate
CID 107441442
2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104726864
2,5-dichloro-N-(3,3-dimethylbutyl)-4-methylaniline
CID 104726565
N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442185
N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 130604516

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 107442697) is N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is Cc1cc(Cl)c(NCC(CN)C(C)C)cc1Cl.
What is the InChIKey of N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is PRLSCIBACPUPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-8(2)10(6-16)7-17-13-5-11(14)9(3)4-12(13)15/h4-5,8,10,17H,6-7,16H2,1-3H3.
What are the key properties of N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 275.22 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).