N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline

C15H23NO3 — CID 116521101

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NCC2CCC(C)(C)O2)c1
InChIInChI=1S/C15H23NO3/c1-15(2)8-7-12(19-15)10-16-13-9-11(17-3)5-6-14(13)18-4/h5-6,9,12,16H,7-8,10H2,1-4H3
InChIKeyOPUFQPITTDISEC-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.07
Rot. Bonds5

About N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline

N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline (PubChem CID 116521101) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline
PubChem CID116521101
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NCC2CCC(C)(C)O2)c1
InChIInChI=1S/C15H23NO3/c1-15(2)8-7-12(19-15)10-16-13-9-11(17-3)5-6-14(13)18-4/h5-6,9,12,16H,7-8,10H2,1-4H3
InChIKeyOPUFQPITTDISEC-UHFFFAOYSA-N
XLogP3.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline
CID 116521073
2-fluoro-5-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102897506
(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104889511
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline
CID 116521071
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid
CID 116520659
2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896577
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 116523092
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522388
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
CID 116522289
1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65210681
2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43192907
N-(1,3-dioxan-4-ylmethyl)-2,4-dimethoxyaniline
CID 81101068

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline (CID 116521101) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NCC2CCC(C)(C)O2)c1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline?
The InChIKey is OPUFQPITTDISEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2)8-7-12(19-15)10-16-13-9-11(17-3)5-6-14(13)18-4/h5-6,9,12,16H,7-8,10H2,1-4H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline has a molecular weight of 265.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 116521101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).