N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine

C14H23N — CID 43177296

IUPACN-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C14H23N/c1-6-13(5)15-9-14-11(3)7-10(2)8-12(14)4/h7-8,13,15H,6,9H2,1-5H3
InChIKeyDEDLGEUEZCQOCA-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.50
Rot. Bonds4

About N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine

N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine (PubChem CID 43177296) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
PubChem CID43177296
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C14H23N/c1-6-13(5)15-9-14-11(3)7-10(2)8-12(14)4/h7-8,13,15H,6,9H2,1-5H3
InChIKeyDEDLGEUEZCQOCA-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 107859391
1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62048044
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[(2,6-difluoro-3-methylphenyl)methyl]butan-2-amine
CID 82814305
1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine
CID 61476145
3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one
CID 82525884
N-[[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60852316

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The IUPAC name of N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine (CID 43177296) is N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine is CCC(C)NCc1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The InChIKey is DEDLGEUEZCQOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-13(5)15-9-14-11(3)7-10(2)8-12(14)4/h7-8,13,15H,6,9H2,1-5H3.
What are the key properties of N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 43177296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).