2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline

C14H21NO2 — CID 116520626

IUPAC2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
SMILESCc1ccc(OCC2CCC(C)(C)O2)c(N)c1
InChIInChI=1S/C14H21NO2/c1-10-4-5-13(12(15)8-10)16-9-11-6-7-14(2,3)17-11/h4-5,8,11H,6-7,9,15H2,1-3H3
InChIKeyWPCCSGSKTUFPBP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.91
Rot. Bonds3

About 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline

2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline (PubChem CID 116520626) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
PubChem CID116520626
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
SMILESCc1ccc(OCC2CCC(C)(C)O2)c(N)c1
InChIInChI=1S/C14H21NO2/c1-10-4-5-13(12(15)8-10)16-9-11-6-7-14(2,3)17-11/h4-5,8,11H,6-7,9,15H2,1-3H3
InChIKeyWPCCSGSKTUFPBP-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 116520773
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 116520835
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide
CID 116522475
2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
CID 116522398
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520805
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104889481
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-trifluoroboranuide
CID 116522457
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzonitrile
CID 116521820
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline (CID 116520626) is 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline is Cc1ccc(OCC2CCC(C)(C)O2)c(N)c1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline?
The InChIKey is WPCCSGSKTUFPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-5-13(12(15)8-10)16-9-11-6-7-14(2,3)17-11/h4-5,8,11H,6-7,9,15H2,1-3H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline?
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline has a molecular weight of 235.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline is sourced from PubChem (CID 116520626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).