N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine

C15H25N — CID 115259408

IUPACN-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C15H25N/c1-7-16(6)11-13-10-14(15(3,4)5)9-8-12(13)2/h8-10H,7,11H2,1-6H3
InChIKeyLJYOTNLNBYMCJM-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.74
Rot. Bonds3

About N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine

N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine (PubChem CID 115259408) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine
PubChem CID115259408
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C15H25N/c1-7-16(6)11-13-10-14(15(3,4)5)9-8-12(13)2/h8-10H,7,11H2,1-6H3
InChIKeyLJYOTNLNBYMCJM-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-tert-butyl-2-methylphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263157
3-N-[(5-tert-butyl-2-methylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119824
4-[(5-tert-butyl-2-methylphenyl)methyl-methylamino]butan-1-ol
CID 115217659
2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine
CID 115259627
2-N-[(5-tert-butyl-2-methylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039981
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205937
(5-tert-butyl-2-methylphenyl)methyl-methylcarbamothioic S-acid
CID 115170095
4-tert-butyl-2-(chloromethyl)-1-methylbenzene
CID 524344
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136058
N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139147
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
2-[(4-tert-butyl-2-methylphenyl)methyl-methylamino]acetonitrile
CID 115131135

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine?
The IUPAC name of N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine (CID 115259408) is N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine is CCN(C)Cc1cc(C(C)(C)C)ccc1C.
What is the InChIKey of N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine?
The InChIKey is LJYOTNLNBYMCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-7-16(6)11-13-10-14(15(3,4)5)9-8-12(13)2/h8-10H,7,11H2,1-6H3.
What are the key properties of N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine?
N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine has a molecular weight of 219.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 115259408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).