1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine

C13H19NO2 — CID 123817997

IUPAC1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine
SMILESCNC(c1cccc(OC)c1)C1(C)COC1
InChIInChI=1S/C13H19NO2/c1-13(8-16-9-13)12(14-2)10-5-4-6-11(7-10)15-3/h4-7,12,14H,8-9H2,1-3H3
InChIKeyJUZSURQNPCALBC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.99
Rot. Bonds4

About 1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine

1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine (PubChem CID 123817997) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine
PubChem CID123817997
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine
SMILESCNC(c1cccc(OC)c1)C1(C)COC1
InChIInChI=1S/C13H19NO2/c1-13(8-16-9-13)12(14-2)10-5-4-6-11(7-10)15-3/h4-7,12,14H,8-9H2,1-3H3
InChIKeyJUZSURQNPCALBC-UHFFFAOYSA-N
XLogP1.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116958827
1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105022410
N-[1-(3-methoxyphenyl)ethyl]-3-methyloxolan-3-amine
CID 75497994
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-(3-methoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859509
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105278241
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine (CID 123817997) is 1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine is CNC(c1cccc(OC)c1)C1(C)COC1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine?
The InChIKey is JUZSURQNPCALBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(8-16-9-13)12(14-2)10-5-4-6-11(7-10)15-3/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine?
1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine is sourced from PubChem (CID 123817997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).