2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine

C16H27N — CID 114246454

IUPAC2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine
SMILESCCCCC(C)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H27N/c1-6-7-8-11(2)16(17)15-10-13(4)12(3)9-14(15)5/h9-11,16H,6-8,17H2,1-5H3
InChIKeyYKNOCAOHHGREGZ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.44
Rot. Bonds5

About 2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine

2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine (PubChem CID 114246454) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine
PubChem CID114246454
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine
SMILESCCCCC(C)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H27N/c1-6-7-8-11(2)16(17)15-10-13(4)12(3)9-14(15)5/h9-11,16H,6-8,17H2,1-5H3
InChIKeyYKNOCAOHHGREGZ-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116945487
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161
1-(2,4,5-trimethylphenyl)octylhydrazine
CID 105312882
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol
CID 116945330
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116946494
4-[(1R)-1-aminopentyl]-3-methylphenol
CID 55253511
1-(3,5-dimethylphenyl)-3-methylheptan-2-amine
CID 114246295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine?
The IUPAC name of 2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine (CID 114246454) is 2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine.
What is the SMILES notation for 2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine?
The canonical SMILES for 2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine is CCCCC(C)C(N)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine?
The InChIKey is YKNOCAOHHGREGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-7-8-11(2)16(17)15-10-13(4)12(3)9-14(15)5/h9-11,16H,6-8,17H2,1-5H3.
What are the key properties of 2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine?
2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine is sourced from PubChem (CID 114246454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).