1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine

C17H27NO3 — CID 116523092

IUPAC1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(OCC2CCC(C)(C)O2)c(CC(C)N)c1
InChIInChI=1S/C17H27NO3/c1-12(18)9-13-10-14(19-4)5-6-16(13)20-11-15-7-8-17(2,3)21-15/h5-6,10,12,15H,7-9,11,18H2,1-4H3
InChIKeyLTTWDVLEUPTCBR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine

1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine (PubChem CID 116523092) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine
PubChem CID116523092
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(OCC2CCC(C)(C)O2)c(CC(C)N)c1
InChIInChI=1S/C17H27NO3/c1-12(18)9-13-10-14(19-4)5-6-16(13)20-11-15-7-8-17(2,3)21-15/h5-6,10,12,15H,7-9,11,18H2,1-4H3
InChIKeyLTTWDVLEUPTCBR-UHFFFAOYSA-N
XLogP2.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522372
1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine
CID 116523105
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522388
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
CID 116522289
1-[3-bromo-4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 116523117
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104889481
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid
CID 116520659
2-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898755
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 116520835
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanol
CID 104889574

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine (CID 116523092) is 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine is COc1ccc(OCC2CCC(C)(C)O2)c(CC(C)N)c1.
What is the InChIKey of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine?
The InChIKey is LTTWDVLEUPTCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(18)9-13-10-14(19-4)5-6-16(13)20-11-15-7-8-17(2,3)21-15/h5-6,10,12,15H,7-9,11,18H2,1-4H3.
What are the key properties of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine?
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 116523092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).