2-(2-cyclopropylphenyl)-N-methyloxan-4-amine

C15H21NO — CID 79982596

IUPAC2-(2-cyclopropylphenyl)-N-methyloxan-4-amine
SMILESCNC1CCOC(c2ccccc2C2CC2)C1
InChIInChI=1S/C15H21NO/c1-16-12-8-9-17-15(10-12)14-5-3-2-4-13(14)11-6-7-11/h2-5,11-12,15-16H,6-10H2,1H3
InChIKeySJUPSCAINCDWNS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-cyclopropylphenyl)-N-methyloxan-4-amine

2-(2-cyclopropylphenyl)-N-methyloxan-4-amine (PubChem CID 79982596) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-N-methyloxan-4-amine.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-N-methyloxan-4-amine
PubChem CID79982596
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(2-cyclopropylphenyl)-N-methyloxan-4-amine
SMILESCNC1CCOC(c2ccccc2C2CC2)C1
InChIInChI=1S/C15H21NO/c1-16-12-8-9-17-15(10-12)14-5-3-2-4-13(14)11-6-7-11/h2-5,11-12,15-16H,6-10H2,1H3
InChIKeySJUPSCAINCDWNS-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-N-methyloxan-4-amine?
The IUPAC name of 2-(2-cyclopropylphenyl)-N-methyloxan-4-amine (CID 79982596) is 2-(2-cyclopropylphenyl)-N-methyloxan-4-amine.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-N-methyloxan-4-amine?
The canonical SMILES for 2-(2-cyclopropylphenyl)-N-methyloxan-4-amine is CNC1CCOC(c2ccccc2C2CC2)C1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-N-methyloxan-4-amine?
The InChIKey is SJUPSCAINCDWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-12-8-9-17-15(10-12)14-5-3-2-4-13(14)11-6-7-11/h2-5,11-12,15-16H,6-10H2,1H3.
What are the key properties of 2-(2-cyclopropylphenyl)-N-methyloxan-4-amine?
2-(2-cyclopropylphenyl)-N-methyloxan-4-amine has a molecular weight of 231.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-N-methyloxan-4-amine is sourced from PubChem (CID 79982596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).