2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine

C16H27N — CID 104990589

IUPAC2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCCC(CC)C(NC)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H27N/c1-7-14(8-2)16(17-6)15-10-12(4)11(3)9-13(15)5/h9-10,14,16-17H,7-8H2,1-6H3
InChIKeyASFCFUJRAKBTMG-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.31
Rot. Bonds5

About 2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine

2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine (PubChem CID 104990589) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
PubChem CID104990589
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCCC(CC)C(NC)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H27N/c1-7-14(8-2)16(17-6)15-10-12(4)11(3)9-13(15)5/h9-10,14,16-17H,7-8H2,1-6H3
InChIKeyASFCFUJRAKBTMG-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 79492540
2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
CID 103302248
N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116960352
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116946494
1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 115797109
N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine
CID 116954358
3-ethyl-1-(2,4,5-trimethylphenyl)pentane-1,2-diol
CID 103459784
1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013762
2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116945487
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105397290
1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
CID 43484507
2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960845

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine (CID 104990589) is 2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine is CCC(CC)C(NC)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The InChIKey is ASFCFUJRAKBTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-7-14(8-2)16(17-6)15-10-12(4)11(3)9-13(15)5/h9-10,14,16-17H,7-8H2,1-6H3.
What are the key properties of 2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 104990589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).