1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane

C18H37N — CID 157275483

IUPAC1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane
SMILESCC.CC.CN(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C11H16.C3H9N.2C2H6/c1-9-7-5-6-8-10(9)11(2,3)4;1-4(2)3;2*1-2/h5-8H,1-4H3;1-3H3;2*1-2H3
InChIKeyAZAVCSNBVJWIGK-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.52
Rot. Bonds

About 1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane

1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane (PubChem CID 157275483) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Name1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane
PubChem CID157275483
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane
SMILESCC.CC.CN(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C11H16.C3H9N.2C2H6/c1-9-7-5-6-8-10(9)11(2,3)4;1-4(2)3;2*1-2/h5-8H,1-4H3;1-3H3;2*1-2H3
InChIKeyAZAVCSNBVJWIGK-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
CID 157489586
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
CID 175472927
CID 175472927
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
1-(1-fluoro-1-iodoethyl)-2-methylbenzene
CID 170359847
N,N,2-trimethyl-2-(2-methylphenyl)propan-1-amine
CID 21365305
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-2-methylbenzene;methane
CID 162057738
1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67863752
2-tert-butyl-6-methylphenol
CID 16678
1,2-ditert-butyl-3-methylbenzene;bis(2,2-dimethylpropane)
CID 161097372
1-tert-butyl-2-[2-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326641

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane?
The IUPAC name of 1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane (CID 157275483) is 1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane.
What is the SMILES notation for 1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane?
The canonical SMILES for 1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane is CC.CC.CN(C)C.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane?
The InChIKey is AZAVCSNBVJWIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C3H9N.2C2H6/c1-9-7-5-6-8-10(9)11(2,3)4;1-4(2)3;2*1-2/h5-8H,1-4H3;1-3H3;2*1-2H3.
What are the key properties of 1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane?
1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane has a molecular weight of 267.50 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 157275483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).