ethane;2-(2-methylphenyl)ethanamine

C11H19N — CID 91237349

IUPACethane;2-(2-methylphenyl)ethanamine
SMILESCC.Cc1ccccc1CCN
InChIInChI=1S/C9H13N.C2H6/c1-8-4-2-3-5-9(8)6-7-10;1-2/h2-5H,6-7,10H2,1H3;1-2H3
InChIKeyINSQRPXREYJMFS-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.52
Rot. Bonds2

About ethane;2-(2-methylphenyl)ethanamine

ethane;2-(2-methylphenyl)ethanamine (PubChem CID 91237349) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is ethane;2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Nameethane;2-(2-methylphenyl)ethanamine
PubChem CID91237349
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Nameethane;2-(2-methylphenyl)ethanamine
SMILESCC.Cc1ccccc1CCN
InChIInChI=1S/C9H13N.C2H6/c1-8-4-2-3-5-9(8)6-7-10;1-2/h2-5H,6-7,10H2,1H3;1-2H3
InChIKeyINSQRPXREYJMFS-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-butyl-2-methylbenzene;ethane;propane
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2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
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CID 18402556
2-(2-methyl-5-phenylphenyl)ethanamine
CID 115027519
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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylphenyl)ethanamine?
The IUPAC name of ethane;2-(2-methylphenyl)ethanamine (CID 91237349) is ethane;2-(2-methylphenyl)ethanamine.
What is the SMILES notation for ethane;2-(2-methylphenyl)ethanamine?
The canonical SMILES for ethane;2-(2-methylphenyl)ethanamine is CC.Cc1ccccc1CCN.
What is the InChIKey of ethane;2-(2-methylphenyl)ethanamine?
The InChIKey is INSQRPXREYJMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H6/c1-8-4-2-3-5-9(8)6-7-10;1-2/h2-5H,6-7,10H2,1H3;1-2H3.
What are the key properties of ethane;2-(2-methylphenyl)ethanamine?
ethane;2-(2-methylphenyl)ethanamine has a molecular weight of 165.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 91237349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).