N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine

C15H23NO2 — CID 61276553

IUPACN-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)C1CCOC1
InChIInChI=1S/C15H23NO2/c1-11(2)18-14-6-4-12(5-7-14)15(16-3)13-8-9-17-10-13/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeySPWYBJASUGTFOS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds5

About N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine

N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 61276553) 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-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID61276553
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)C1CCOC1
InChIInChI=1S/C15H23NO2/c1-11(2)18-14-6-4-12(5-7-14)15(16-3)13-8-9-17-10-13/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeySPWYBJASUGTFOS-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 62905659
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 81329924
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171250022
1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550
1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
1-(2-bromo-4-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61276590
N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine
CID 115856531
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine (CID 61276553) is N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine is CNC(c1ccc(OC(C)C)cc1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is SPWYBJASUGTFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)18-14-6-4-12(5-7-14)15(16-3)13-8-9-17-10-13/h4-7,11,13,15-16H,8-10H2,1-3H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 5 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-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 61276553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).