N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine

C16H23NO — CID 71634426

IUPACN-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
SMILESCc1ccc(CC2COCCC2NC2CC2)cc1
InChIInChI=1S/C16H23NO/c1-12-2-4-13(5-3-12)10-14-11-18-9-8-16(14)17-15-6-7-15/h2-5,14-17H,6-11H2,1H3
InChIKeyQDOIBQBIIVFYMA-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.69
Rot. Bonds4

About N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine

N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine (PubChem CID 71634426) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
PubChem CID71634426
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
SMILESCc1ccc(CC2COCCC2NC2CC2)cc1
InChIInChI=1S/C16H23NO/c1-12-2-4-13(5-3-12)10-14-11-18-9-8-16(14)17-15-6-7-15/h2-5,14-17H,6-11H2,1H3
InChIKeyQDOIBQBIIVFYMA-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine?
The IUPAC name of N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine (CID 71634426) is N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine.
What is the SMILES notation for N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine?
The canonical SMILES for N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine is Cc1ccc(CC2COCCC2NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine?
The InChIKey is QDOIBQBIIVFYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-2-4-13(5-3-12)10-14-11-18-9-8-16(14)17-15-6-7-15/h2-5,14-17H,6-11H2,1H3.
What are the key properties of N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine?
N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine has a molecular weight of 245.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 71634426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).