ethane;2-N-methylbenzene-1,2-diamine

C11H22N2 — CID 91146948

IUPACethane;2-N-methylbenzene-1,2-diamine
SMILESCC.CC.CNc1ccccc1N
InChIInChI=1S/C7H10N2.2C2H6/c1-9-7-5-3-2-4-6(7)8;2*1-2/h2-5,9H,8H2,1H3;2*1-2H3
InChIKeyOTRBNTHFGAOZDU-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.36
Rot. Bonds1

About ethane;2-N-methylbenzene-1,2-diamine

ethane;2-N-methylbenzene-1,2-diamine (PubChem CID 91146948) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Nameethane;2-N-methylbenzene-1,2-diamine
PubChem CID91146948
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;2-N-methylbenzene-1,2-diamine
SMILESCC.CC.CNc1ccccc1N
InChIInChI=1S/C7H10N2.2C2H6/c1-9-7-5-3-2-4-6(7)8;2*1-2/h2-5,9H,8H2,1H3;2*1-2H3
InChIKeyOTRBNTHFGAOZDU-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-N-methylbenzene-1,2-diamine?
The IUPAC name of ethane;2-N-methylbenzene-1,2-diamine (CID 91146948) is ethane;2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for ethane;2-N-methylbenzene-1,2-diamine?
The canonical SMILES for ethane;2-N-methylbenzene-1,2-diamine is CC.CC.CNc1ccccc1N.
What is the InChIKey of ethane;2-N-methylbenzene-1,2-diamine?
The InChIKey is OTRBNTHFGAOZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.2C2H6/c1-9-7-5-3-2-4-6(7)8;2*1-2/h2-5,9H,8H2,1H3;2*1-2H3.
What are the key properties of ethane;2-N-methylbenzene-1,2-diamine?
ethane;2-N-methylbenzene-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 91146948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).