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

C15H25N — CID 43085077

IUPAC3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
SMILESCc1cc(C)c(CNC(C)C(C)C)c(C)c1
InChIInChI=1S/C15H25N/c1-10(2)14(6)16-9-15-12(4)7-11(3)8-13(15)5/h7-8,10,14,16H,9H2,1-6H3
InChIKeyPPWVWSSFBYAMMF-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.75
Rot. Bonds4

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

3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine (PubChem CID 43085077) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
PubChem CID43085077
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
SMILESCc1cc(C)c(CNC(C)C(C)C)c(C)c1
InChIInChI=1S/C15H25N/c1-10(2)14(6)16-9-15-12(4)7-11(3)8-13(15)5/h7-8,10,14,16H,9H2,1-6H3
InChIKeyPPWVWSSFBYAMMF-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 60690388
1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 107859391
N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43177296
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
1-N,1-N,3-trimethyl-2-N-[(2,4,6-trimethylphenyl)methyl]butane-1,2-diamine
CID 61476145
(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 93026402
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
1-chloro-4,4-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]pentan-3-amine
CID 106354200
1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43080713
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384
1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61473381

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine (CID 43085077) is 3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine is Cc1cc(C)c(CNC(C)C(C)C)c(C)c1.
What is the InChIKey of 3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The InChIKey is PPWVWSSFBYAMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10(2)14(6)16-9-15-12(4)7-11(3)8-13(15)5/h7-8,10,14,16H,9H2,1-6H3.
What are the key properties of 3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 43085077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).