1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine

C13H21N — CID 82125631

IUPAC1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C13H21N/c1-10-6-7-12(13(2,3)4)8-11(10)9-14-5/h6-8,14H,9H2,1-5H3
InChIKeyRJZSWYPZRTVLPY-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.01
Rot. Bonds2

About 1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine

1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine (PubChem CID 82125631) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
PubChem CID82125631
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C13H21N/c1-10-6-7-12(13(2,3)4)8-11(10)9-14-5/h6-8,14H,9H2,1-5H3
InChIKeyRJZSWYPZRTVLPY-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 82129150
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176703161
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227143
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195966
4-tert-butyl-2-(chloromethyl)-1-methylbenzene
CID 524344
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
2-[(5-tert-butyl-2-methylphenyl)methylamino]acetic acid
CID 82496644
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
4-methyl-3-(methylaminomethyl)aniline
CID 45078677
N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine
CID 82132708
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]acetonitrile
CID 115131196

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine (CID 82125631) is 1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine is CNCc1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine?
The InChIKey is RJZSWYPZRTVLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10-6-7-12(13(2,3)4)8-11(10)9-14-5/h6-8,14H,9H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine?
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 82125631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).