2-tert-butylphenol;N-methylmethanamine

C12H21NO — CID 161387965

IUPAC2-tert-butylphenol;N-methylmethanamine
SMILESCC(C)(C)c1ccccc1O.CNC
InChIInChI=1S/C10H14O.C2H7N/c1-10(2,3)8-6-4-5-7-9(8)11;1-3-2/h4-7,11H,1-3H3;3H,1-2H3
InChIKeyVSPISSHWJNBIFF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.53
Rot. Bonds

About 2-tert-butylphenol;N-methylmethanamine

2-tert-butylphenol;N-methylmethanamine (PubChem CID 161387965) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-tert-butylphenol;N-methylmethanamine.

Molecular Properties

Compound Name2-tert-butylphenol;N-methylmethanamine
PubChem CID161387965
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-tert-butylphenol;N-methylmethanamine
SMILESCC(C)(C)c1ccccc1O.CNC
InChIInChI=1S/C10H14O.C2H7N/c1-10(2,3)8-6-4-5-7-9(8)11;1-3-2/h4-7,11H,1-3H3;3H,1-2H3
InChIKeyVSPISSHWJNBIFF-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 172777673
CID 172777673
potassium;2-tert-butylphenol;hydride
CID 174648142
tetrakis(2-tert-butylphenol);phosphorous acid
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2-tert-butylphenol;toluene
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2-tert-butylphenol;2-methylprop-1-ene
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2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
CID 175472927
CID 175472927
2-tert-butylphenol;1-methylsulfanylbutane
CID 174325017
2-tert-butylphenol;2-prop-2-enylphenol
CID 88688446
2-[2-(dimethylamino)propan-2-yl]phenol
CID 66587179

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylphenol;N-methylmethanamine?
The IUPAC name of 2-tert-butylphenol;N-methylmethanamine (CID 161387965) is 2-tert-butylphenol;N-methylmethanamine.
What is the SMILES notation for 2-tert-butylphenol;N-methylmethanamine?
The canonical SMILES for 2-tert-butylphenol;N-methylmethanamine is CC(C)(C)c1ccccc1O.CNC.
What is the InChIKey of 2-tert-butylphenol;N-methylmethanamine?
The InChIKey is VSPISSHWJNBIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H7N/c1-10(2,3)8-6-4-5-7-9(8)11;1-3-2/h4-7,11H,1-3H3;3H,1-2H3.
What are the key properties of 2-tert-butylphenol;N-methylmethanamine?
2-tert-butylphenol;N-methylmethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylphenol;N-methylmethanamine is sourced from PubChem (CID 161387965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).