N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine

C14H23N — CID 82077222

IUPACN-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCNCCC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H23N/c1-10-8-12(3)14(13(4)9-10)11(2)6-7-15-5/h8-9,11,15H,6-7H2,1-5H3
InChIKeyJEUYBLPJXPECFP-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.32
Rot. Bonds4

About N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine

N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine (PubChem CID 82077222) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine
PubChem CID82077222
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCNCCC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H23N/c1-10-8-12(3)14(13(4)9-10)11(2)6-7-15-5/h8-9,11,15H,6-7H2,1-5H3
InChIKeyJEUYBLPJXPECFP-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
CID 83928223
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
CID 176709600
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314916
ethane;2-methylpropane-2-thiol;1,3,5-trimethyl-2-pentan-2-ylbenzene;hydrate
CID 142531600
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
3-(2-bromo-4,6-dimethylphenyl)butan-1-amine
CID 84805272
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
2-(2-methoxyethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314934
1-(4-hydroxy-2,6-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890167

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine?
The IUPAC name of N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine (CID 82077222) is N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine.
What is the SMILES notation for N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine?
The canonical SMILES for N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine is CNCCC(C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine?
The InChIKey is JEUYBLPJXPECFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10-8-12(3)14(13(4)9-10)11(2)6-7-15-5/h8-9,11,15H,6-7H2,1-5H3.
What are the key properties of N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine?
N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 82077222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).