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

C16H23NO — CID 115889451

IUPACN-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2)C1)C1CCOC1
InChIInChI=1S/C16H23NO/c1-12(14-7-8-18-11-14)17-16-9-15(10-16)13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3
InChIKeyJOPCWNYZUIZHOM-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.95
Rot. Bonds4

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

N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine (PubChem CID 115889451) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine
PubChem CID115889451
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2)C1)C1CCOC1
InChIInChI=1S/C16H23NO/c1-12(14-7-8-18-11-14)17-16-9-15(10-16)13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3
InChIKeyJOPCWNYZUIZHOM-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyphenyl)-N-[1-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 115919997
cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 167856974
N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632276
N-[1-(oxolan-3-yl)ethyl]cyclopent-3-en-1-amine
CID 115728380
N-(1-cyclopropylethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635495
N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
CID 43779146
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
CID 104530462
N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
(3R)-3-phenyloxolane
CID 92859476
3-(1-phenylethyl)oxolane
CID 150323599
1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
CID 99632337

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine (CID 115889451) is N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine is CC(NC1CC(c2ccccc2)C1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine?
The InChIKey is JOPCWNYZUIZHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(14-7-8-18-11-14)17-16-9-15(10-16)13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine?
N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 115889451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).