2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine

C14H24N2 — CID 116934101

IUPAC2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
SMILESCc1ccc(C(N)C(C)CCN)c(C)c1C
InChIInChI=1S/C14H24N2/c1-9-5-6-13(12(4)11(9)3)14(16)10(2)7-8-15/h5-6,10,14H,7-8,15-16H2,1-4H3
InChIKeyFPSMWBJHFSITOI-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.60
Rot. Bonds4

About 2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine

2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine (PubChem CID 116934101) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
PubChem CID116934101
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
SMILESCc1ccc(C(N)C(C)CCN)c(C)c1C
InChIInChI=1S/C14H24N2/c1-9-5-6-13(12(4)11(9)3)14(16)10(2)7-8-15/h5-6,10,14H,7-8,15-16H2,1-4H3
InChIKeyFPSMWBJHFSITOI-UHFFFAOYSA-N
XLogP2.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905417
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
CID 116934030
2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
CID 116830565
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
CID 131057437
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine
CID 107514810
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
3-amino-3-(2,3,4-trimethylphenyl)propanamide
CID 116850990
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine (CID 116934101) is 2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine is Cc1ccc(C(N)C(C)CCN)c(C)c1C.
What is the InChIKey of 2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The InChIKey is FPSMWBJHFSITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-9-5-6-13(12(4)11(9)3)14(16)10(2)7-8-15/h5-6,10,14H,7-8,15-16H2,1-4H3.
What are the key properties of 2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116934101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).