N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline

C17H22N2O — CID 62128804

IUPACN,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline
SMILESCNCc1ccc(Oc2cccc(N(C)C)c2)cc1C
InChIInChI=1S/C17H22N2O/c1-13-10-17(9-8-14(13)12-18-2)20-16-7-5-6-15(11-16)19(3)4/h5-11,18H,12H2,1-4H3
InChIKeyIGGSYTWXRCIBQJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.57
Rot. Bonds5

About N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline

N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline (PubChem CID 62128804) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline
PubChem CID62128804
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline
SMILESCNCc1ccc(Oc2cccc(N(C)C)c2)cc1C
InChIInChI=1S/C17H22N2O/c1-13-10-17(9-8-14(13)12-18-2)20-16-7-5-6-15(11-16)19(3)4/h5-11,18H,12H2,1-4H3
InChIKeyIGGSYTWXRCIBQJ-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55222155
1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55038504
1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62128798
N-methyl-1-(2-methyl-4-naphthalen-1-yloxyphenyl)methanamine
CID 63552196
N-methyl-1-(2-methyl-4-quinolin-3-yloxyphenyl)methanamine
CID 107387603
1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63879873
4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide
CID 81276721
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline
CID 113378039
N,N-dimethyl-3-[6-(methylaminomethyl)pyrazin-2-yl]oxyaniline
CID 66449849

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline?
The IUPAC name of N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline (CID 62128804) is N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline is CNCc1ccc(Oc2cccc(N(C)C)c2)cc1C.
What is the InChIKey of N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline?
The InChIKey is IGGSYTWXRCIBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-10-17(9-8-14(13)12-18-2)20-16-7-5-6-15(11-16)19(3)4/h5-11,18H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline?
N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline is sourced from PubChem (CID 62128804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).