N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine

C15H23NO2 — CID 115856531

IUPACN-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)C2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-3-8-18-14-6-4-5-12(10-14)15(16-2)13-7-9-17-11-13/h4-6,10,13,15-16H,3,7-9,11H2,1-2H3
InChIKeyVKAWYMRTHNWVHW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds6

About N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine

N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine (PubChem CID 115856531) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine
PubChem CID115856531
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)C2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-3-8-18-14-6-4-5-12(10-14)15(16-2)13-7-9-17-11-13/h4-6,10,13,15-16H,3,7-9,11H2,1-2H3
InChIKeyVKAWYMRTHNWVHW-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935050
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362131
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine
CID 105010167
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 105496707
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine (CID 115856531) is N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(NC)C2CCOC2)c1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine?
The InChIKey is VKAWYMRTHNWVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-8-18-14-6-4-5-12(10-14)15(16-2)13-7-9-17-11-13/h4-6,10,13,15-16H,3,7-9,11H2,1-2H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine?
N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 115856531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).