N-(4-phenylbutan-2-yl)oxolan-3-amine

C14H21NO — CID 63331840

IUPACN-(4-phenylbutan-2-yl)oxolan-3-amine
SMILESCC(CCc1ccccc1)NC1CCOC1
InChIInChI=1S/C14H21NO/c1-12(15-14-9-10-16-11-14)7-8-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3
InChIKeyJOOZSNTXHDGLDA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds5

About N-(4-phenylbutan-2-yl)oxolan-3-amine

N-(4-phenylbutan-2-yl)oxolan-3-amine (PubChem CID 63331840) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)oxolan-3-amine
PubChem CID63331840
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(4-phenylbutan-2-yl)oxolan-3-amine
SMILESCC(CCc1ccccc1)NC1CCOC1
InChIInChI=1S/C14H21NO/c1-12(15-14-9-10-16-11-14)7-8-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3
InChIKeyJOOZSNTXHDGLDA-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-phenylbutan-2-yl)oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)oxolan-3-amine?
The IUPAC name of N-(4-phenylbutan-2-yl)oxolan-3-amine (CID 63331840) is N-(4-phenylbutan-2-yl)oxolan-3-amine.
What is the SMILES notation for N-(4-phenylbutan-2-yl)oxolan-3-amine?
The canonical SMILES for N-(4-phenylbutan-2-yl)oxolan-3-amine is CC(CCc1ccccc1)NC1CCOC1.
What is the InChIKey of N-(4-phenylbutan-2-yl)oxolan-3-amine?
The InChIKey is JOOZSNTXHDGLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(15-14-9-10-16-11-14)7-8-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3.
What are the key properties of N-(4-phenylbutan-2-yl)oxolan-3-amine?
N-(4-phenylbutan-2-yl)oxolan-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)oxolan-3-amine is sourced from PubChem (CID 63331840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).