2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine

C14H24N2 — CID 115202328

IUPAC2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine
SMILESCc1cc(C)c(NCC(C)CCN)cc1C
InChIInChI=1S/C14H24N2/c1-10(5-6-15)9-16-14-8-12(3)11(2)7-13(14)4/h7-8,10,16H,5-6,9,15H2,1-4H3
InChIKeyBJRQTOXPTFSLOU-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.01
Rot. Bonds5

About 2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine

2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine (PubChem CID 115202328) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine
PubChem CID115202328
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine
SMILESCc1cc(C)c(NCC(C)CCN)cc1C
InChIInChI=1S/C14H24N2/c1-10(5-6-15)9-16-14-8-12(3)11(2)7-13(14)4/h7-8,10,16H,5-6,9,15H2,1-4H3
InChIKeyBJRQTOXPTFSLOU-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 115202335
3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine
CID 115119407
N-(5-chloro-2-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202326
N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987377
3-methyl-2-[(2,4,5-trimethylanilino)methyl]butanenitrile
CID 115254260
N-(3,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987378
2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine
CID 66106814
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202314
N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202717
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 112635894
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butane-1,4-diamine
CID 66092554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine (CID 115202328) is 2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine is Cc1cc(C)c(NCC(C)CCN)cc1C.
What is the InChIKey of 2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine?
The InChIKey is BJRQTOXPTFSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(5-6-15)9-16-14-8-12(3)11(2)7-13(14)4/h7-8,10,16H,5-6,9,15H2,1-4H3.
What are the key properties of 2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine?
2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 115202328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).