N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine

C17H28N2O2 — CID 82732739

IUPACN-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
SMILESCNC(C)c1ccc(OC)c(CN(C)C2CCOC2C)c1
InChIInChI=1S/C17H28N2O2/c1-12(18-3)14-6-7-17(20-5)15(10-14)11-19(4)16-8-9-21-13(16)2/h6-7,10,12-13,16,18H,8-9,11H2,1-5H3
InChIKeySOSNCDTWLXXRNN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.58
Rot. Bonds6

About N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine

N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82732739) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
PubChem CID82732739
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
SMILESCNC(C)c1ccc(OC)c(CN(C)C2CCOC2C)c1
InChIInChI=1S/C17H28N2O2/c1-12(18-3)14-6-7-17(20-5)15(10-14)11-19(4)16-8-9-21-13(16)2/h6-7,10,12-13,16,18H,8-9,11H2,1-5H3
InChIKeySOSNCDTWLXXRNN-UHFFFAOYSA-N
XLogP2.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine
CID 62859874
1-[4-methoxy-3-(oxan-4-ylsulfanylmethyl)phenyl]-N-methylethanamine
CID 64626374
1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one
CID 104680031
methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate
CID 82968974
N,2-dimethyl-N-[2-[1-(methylamino)ethyl]phenyl]oxolan-3-amine
CID 82740072
N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine
CID 82754523
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 63727807
N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82739350
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
3-(chloromethyl)-4-methoxy-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748459
1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 65159021
1-[3-(ethylsulfinylmethyl)-4-methoxyphenyl]-N-methylethanamine
CID 64651086

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine (CID 82732739) is N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine is CNC(C)c1ccc(OC)c(CN(C)C2CCOC2C)c1.
What is the InChIKey of N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is SOSNCDTWLXXRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(18-3)14-6-7-17(20-5)15(10-14)11-19(4)16-8-9-21-13(16)2/h6-7,10,12-13,16,18H,8-9,11H2,1-5H3.
What are the key properties of N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine?
N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 292.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82732739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).