1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine

C15H23NO2 — CID 116520718

IUPAC1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCC2CCC(C)(C)O2)cc1
InChIInChI=1S/C15H23NO2/c1-15(2)9-8-14(18-15)11-17-13-6-4-12(5-7-13)10-16-3/h4-7,14,16H,8-11H2,1-3H3
InChIKeyOYNPWIAAOMURJX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds5

About 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine

1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 116520718) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID116520718
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCC2CCC(C)(C)O2)cc1
InChIInChI=1S/C15H23NO2/c1-15(2)9-8-14(18-15)11-17-13-6-4-12(5-7-13)10-16-3/h4-7,14,16H,8-11H2,1-3H3
InChIKeyOYNPWIAAOMURJX-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 116520720
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686630
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
CID 103132805
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-1-ol
CID 104889581
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716568
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901507
3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde
CID 116521944
[3-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methanamine
CID 116520913
(NE)-N-[5-[(5,5-dimethyloxolan-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684342

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 116520718) is 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCC2CCC(C)(C)O2)cc1.
What is the InChIKey of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is OYNPWIAAOMURJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2)9-8-14(18-15)11-17-13-6-4-12(5-7-13)10-16-3/h4-7,14,16H,8-11H2,1-3H3.
What are the key properties of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 116520718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).