2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine

C14H23N — CID 82126383

IUPAC2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C14H23N/c1-11-6-7-13(14(2,3)4)10-12(11)8-9-15-5/h6-7,10,15H,8-9H2,1-5H3
InChIKeyGDELZAAGYSENCH-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.05
Rot. Bonds3

About 2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine

2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine (PubChem CID 82126383) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
PubChem CID82126383
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C14H23N/c1-11-6-7-13(14(2,3)4)10-12(11)8-9-15-5/h6-7,10,15H,8-9H2,1-5H3
InChIKeyGDELZAAGYSENCH-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195966
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227143
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol
CID 115229280
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]acetonitrile
CID 115131196
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]ethanethiol
CID 115224198
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide
CID 110787932
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide
CID 110787933
1-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]propane-1,2-diamine
CID 115196764
4-(5-tert-butyl-2-methylphenyl)butane-1-thiol
CID 94686954
3-[2-(5-tert-butyl-2-methylphenyl)ethylamino]propanoic acid
CID 115005536
4-tert-butyl-2-(chloromethyl)-1-methylbenzene
CID 524344

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine (CID 82126383) is 2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine is CNCCc1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine?
The InChIKey is GDELZAAGYSENCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11-6-7-13(14(2,3)4)10-12(11)8-9-15-5/h6-7,10,15H,8-9H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine?
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 82126383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).