N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine

C15H21NO2 — CID 78957179

IUPACN-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc(CNCC2(C)COC2)cc1
InChIInChI=1S/C15H21NO2/c1-3-8-18-14-6-4-13(5-7-14)9-16-10-15(2)11-17-12-15/h3-7,16H,1,8-12H2,2H3
InChIKeyJUSPJNWYEJLKKU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.38
Rot. Bonds7

About N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine

N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine (PubChem CID 78957179) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
PubChem CID78957179
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc(CNCC2(C)COC2)cc1
InChIInChI=1S/C15H21NO2/c1-3-8-18-14-6-4-13(5-7-14)9-16-10-15(2)11-17-12-15/h3-7,16H,1,8-12H2,2H3
InChIKeyJUSPJNWYEJLKKU-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine (CID 78957179) is N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine is C=CCOc1ccc(CNCC2(C)COC2)cc1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
The InChIKey is JUSPJNWYEJLKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-8-18-14-6-4-13(5-7-14)9-16-10-15(2)11-17-12-15/h3-7,16H,1,8-12H2,2H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine is sourced from PubChem (CID 78957179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).