ethylbenzene;pyridin-2-amine

C13H16N2 — CID 145008383

IUPACethylbenzene;pyridin-2-amine
SMILESCCc1ccccc1.Nc1ccccn1
InChIInChI=1S/C8H10.C5H6N2/c1-2-8-6-4-3-5-7-8;6-5-3-1-2-4-7-5/h3-7H,2H2,1H3;1-4H,(H2,6,7)
InChIKeyNUPQMZGRCZWKRI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.91
Rot. Bonds1

About ethylbenzene;pyridin-2-amine

ethylbenzene;pyridin-2-amine (PubChem CID 145008383) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethylbenzene;pyridin-2-amine.

Molecular Properties

Compound Nameethylbenzene;pyridin-2-amine
PubChem CID145008383
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Nameethylbenzene;pyridin-2-amine
SMILESCCc1ccccc1.Nc1ccccn1
InChIInChI=1S/C8H10.C5H6N2/c1-2-8-6-4-3-5-7-8;6-5-3-1-2-4-7-5/h3-7H,2H2,1H3;1-4H,(H2,6,7)
InChIKeyNUPQMZGRCZWKRI-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;pyridin-2-amine?
The IUPAC name of ethylbenzene;pyridin-2-amine (CID 145008383) is ethylbenzene;pyridin-2-amine.
What is the SMILES notation for ethylbenzene;pyridin-2-amine?
The canonical SMILES for ethylbenzene;pyridin-2-amine is CCc1ccccc1.Nc1ccccn1.
What is the InChIKey of ethylbenzene;pyridin-2-amine?
The InChIKey is NUPQMZGRCZWKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H6N2/c1-2-8-6-4-3-5-7-8;6-5-3-1-2-4-7-5/h3-7H,2H2,1H3;1-4H,(H2,6,7).
What are the key properties of ethylbenzene;pyridin-2-amine?
ethylbenzene;pyridin-2-amine has a molecular weight of 200.28 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;pyridin-2-amine is sourced from PubChem (CID 145008383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).