N-(2-phenylcyclohexyl)oxolan-3-amine

C16H23NO — CID 80716893

IUPACN-(2-phenylcyclohexyl)oxolan-3-amine
SMILESc1ccc(C2CCCCC2NC2CCOC2)cc1
InChIInChI=1S/C16H23NO/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)17-14-10-11-18-12-14/h1-3,6-7,14-17H,4-5,8-12H2
InChIKeyAPPOFJPLBPDGLR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds3

About N-(2-phenylcyclohexyl)oxolan-3-amine

N-(2-phenylcyclohexyl)oxolan-3-amine (PubChem CID 80716893) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-phenylcyclohexyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-phenylcyclohexyl)oxolan-3-amine
PubChem CID80716893
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(2-phenylcyclohexyl)oxolan-3-amine
SMILESc1ccc(C2CCCCC2NC2CCOC2)cc1
InChIInChI=1S/C16H23NO/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)17-14-10-11-18-12-14/h1-3,6-7,14-17H,4-5,8-12H2
InChIKeyAPPOFJPLBPDGLR-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclohexyl)oxolan-3-amine?
The IUPAC name of N-(2-phenylcyclohexyl)oxolan-3-amine (CID 80716893) is N-(2-phenylcyclohexyl)oxolan-3-amine.
What is the SMILES notation for N-(2-phenylcyclohexyl)oxolan-3-amine?
The canonical SMILES for N-(2-phenylcyclohexyl)oxolan-3-amine is c1ccc(C2CCCCC2NC2CCOC2)cc1.
What is the InChIKey of N-(2-phenylcyclohexyl)oxolan-3-amine?
The InChIKey is APPOFJPLBPDGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)17-14-10-11-18-12-14/h1-3,6-7,14-17H,4-5,8-12H2.
What are the key properties of N-(2-phenylcyclohexyl)oxolan-3-amine?
N-(2-phenylcyclohexyl)oxolan-3-amine has a molecular weight of 245.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclohexyl)oxolan-3-amine is sourced from PubChem (CID 80716893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).