1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine

C14H20N2O — CID 114118630

IUPAC1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NC2CCOC2C2CC2)c(N)c1
InChIInChI=1S/C14H20N2O/c1-9-2-5-12(11(15)8-9)16-13-6-7-17-14(13)10-3-4-10/h2,5,8,10,13-14,16H,3-4,6-7,15H2,1H3
InChIKeyVTUNCAUXZNXSSB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.56
Rot. Bonds3

About 1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine

1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine (PubChem CID 114118630) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine
PubChem CID114118630
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NC2CCOC2C2CC2)c(N)c1
InChIInChI=1S/C14H20N2O/c1-9-2-5-12(11(15)8-9)16-13-6-7-17-14(13)10-3-4-10/h2,5,8,10,13-14,16H,3-4,6-7,15H2,1H3
InChIKeyVTUNCAUXZNXSSB-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine (CID 114118630) is 1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine is Cc1ccc(NC2CCOC2C2CC2)c(N)c1.
What is the InChIKey of 1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine?
The InChIKey is VTUNCAUXZNXSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-2-5-12(11(15)8-9)16-13-6-7-17-14(13)10-3-4-10/h2,5,8,10,13-14,16H,3-4,6-7,15H2,1H3.
What are the key properties of 1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine?
1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 114118630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).