N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine

C16H25NO2 — CID 105035833

IUPACN-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)C1OCCC1C
InChIInChI=1S/C16H25NO2/c1-4-10-18-14-8-6-5-7-13(14)15(17-3)16-12(2)9-11-19-16/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyUHSOTEKPTOATKM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds6

About N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine

N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine (PubChem CID 105035833) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine
PubChem CID105035833
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)C1OCCC1C
InChIInChI=1S/C16H25NO2/c1-4-10-18-14-8-6-5-7-13(14)15(17-3)16-12(2)9-11-19-16/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyUHSOTEKPTOATKM-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018242
N-methyl-1-(3-methyloxolan-2-yl)-1-(4-propoxyphenyl)methanamine
CID 115853352
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105036000
1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211
[(3-methyloxolan-2-yl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326187
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102840428
N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105024939
N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035932
1-(3,5-dimethylcyclohexyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115533801
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105032819

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine (CID 105035833) is N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(NC)C1OCCC1C.
What is the InChIKey of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine?
The InChIKey is UHSOTEKPTOATKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-10-18-14-8-6-5-7-13(14)15(17-3)16-12(2)9-11-19-16/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine?
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105035833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).