N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine

C17H27NO2 — CID 114621141

IUPACN-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine
SMILESCNCc1cc(C)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H27NO2/c1-12-7-8-14(13(9-12)11-18-6)19-15-10-16(2,3)20-17(15,4)5/h7-9,15,18H,10-11H2,1-6H3
InChIKeyLMTBZWCPFNPGLE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.44
Rot. Bonds4

About N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine

N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine (PubChem CID 114621141) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine
PubChem CID114621141
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine
SMILESCNCc1cc(C)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H27NO2/c1-12-7-8-14(13(9-12)11-18-6)19-15-10-16(2,3)20-17(15,4)5/h7-9,15,18H,10-11H2,1-6H3
InChIKeyLMTBZWCPFNPGLE-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621100
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621099
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 114621113
5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
CID 114621747
N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223569
1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine
CID 114621180
3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 107691461
[6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxy-2-pyridinyl]methanamine
CID 114621146
1-[2-(1,1-dioxothiolan-3-yl)oxy-5-methylphenyl]-N-methylmethanamine
CID 63322568
N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine
CID 55204163
N-(2-methoxy-4-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79928376
1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine (CID 114621141) is N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine is CNCc1cc(C)ccc1OC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine?
The InChIKey is LMTBZWCPFNPGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-7-8-14(13(9-12)11-18-6)19-15-10-16(2,3)20-17(15,4)5/h7-9,15,18H,10-11H2,1-6H3.
What are the key properties of N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine?
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine is sourced from PubChem (CID 114621141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).