N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine

C16H25NO — CID 102940549

IUPACN-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCc2ccccc2)CCC1
InChIInChI=1S/C16H25NO/c1-14(2)17-12-16(9-6-10-16)13-18-11-15-7-4-3-5-8-15/h3-5,7-8,14,17H,6,9-13H2,1-2H3
InChIKeyCJUVJUFREANPMD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.37
Rot. Bonds7

About N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine

N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 102940549) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
PubChem CID102940549
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCc2ccccc2)CCC1
InChIInChI=1S/C16H25NO/c1-14(2)17-12-16(9-6-10-16)13-18-11-15-7-4-3-5-8-15/h3-5,7-8,14,17H,6,9-13H2,1-2H3
InChIKeyCJUVJUFREANPMD-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine (CID 102940549) is N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1(COCc2ccccc2)CCC1.
What is the InChIKey of N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is CJUVJUFREANPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(2)17-12-16(9-6-10-16)13-18-11-15-7-4-3-5-8-15/h3-5,7-8,14,17H,6,9-13H2,1-2H3.
What are the key properties of N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine?
N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 102940549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).