N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine

C16H23NO — CID 43632276

IUPACN-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2)C1)C1CCCO1
InChIInChI=1S/C16H23NO/c1-12(16-8-5-9-18-16)17-15-10-14(11-15)13-6-3-2-4-7-13/h2-4,6-7,12,14-17H,5,8-11H2,1H3
InChIKeyURULTOZFHGYWHW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds4

About N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine

N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine (PubChem CID 43632276) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
PubChem CID43632276
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2)C1)C1CCCO1
InChIInChI=1S/C16H23NO/c1-12(16-8-5-9-18-16)17-15-10-14(11-15)13-6-3-2-4-7-13/h2-4,6-7,12,14-17H,5,8-11H2,1H3
InChIKeyURULTOZFHGYWHW-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine (CID 43632276) is N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine is CC(NC1CC(c2ccccc2)C1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine?
The InChIKey is URULTOZFHGYWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(16-8-5-9-18-16)17-15-10-14(11-15)13-6-3-2-4-7-13/h2-4,6-7,12,14-17H,5,8-11H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine?
N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 43632276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).