ethylbenzene;2-methylpropan-2-amine

C12H21N — CID 142271167

IUPACethylbenzene;2-methylpropan-2-amine
SMILESCC(C)(C)N.CCc1ccccc1
InChIInChI=1S/C8H10.C4H11N/c1-2-8-6-4-3-5-7-8;1-4(2,3)5/h3-7H,2H2,1H3;5H2,1-3H3
InChIKeyHRJKRMOFEDJKLC-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.99
Rot. Bonds1

About ethylbenzene;2-methylpropan-2-amine

ethylbenzene;2-methylpropan-2-amine (PubChem CID 142271167) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is ethylbenzene;2-methylpropan-2-amine.

Molecular Properties

Compound Nameethylbenzene;2-methylpropan-2-amine
PubChem CID142271167
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nameethylbenzene;2-methylpropan-2-amine
SMILESCC(C)(C)N.CCc1ccccc1
InChIInChI=1S/C8H10.C4H11N/c1-2-8-6-4-3-5-7-8;1-4(2,3)5/h3-7H,2H2,1H3;5H2,1-3H3
InChIKeyHRJKRMOFEDJKLC-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;2-methylpropan-2-amine?
The IUPAC name of ethylbenzene;2-methylpropan-2-amine (CID 142271167) is ethylbenzene;2-methylpropan-2-amine.
What is the SMILES notation for ethylbenzene;2-methylpropan-2-amine?
The canonical SMILES for ethylbenzene;2-methylpropan-2-amine is CC(C)(C)N.CCc1ccccc1.
What is the InChIKey of ethylbenzene;2-methylpropan-2-amine?
The InChIKey is HRJKRMOFEDJKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H11N/c1-2-8-6-4-3-5-7-8;1-4(2,3)5/h3-7H,2H2,1H3;5H2,1-3H3.
What are the key properties of ethylbenzene;2-methylpropan-2-amine?
ethylbenzene;2-methylpropan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;2-methylpropan-2-amine is sourced from PubChem (CID 142271167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).