N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline

C17H22N2O — CID 62484883

IUPACN,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
SMILESCNCC(Oc1cccc(N(C)C)c1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-18-13-17(14-8-5-4-6-9-14)20-16-11-7-10-15(12-16)19(2)3/h4-12,17-18H,13H2,1-3H3
InChIKeyLCHDHTVZTAOWTG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.09
Rot. Bonds6

About N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline

N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline (PubChem CID 62484883) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
PubChem CID62484883
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
SMILESCNCC(Oc1cccc(N(C)C)c1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-18-13-17(14-8-5-4-6-9-14)20-16-11-7-10-15(12-16)19(2)3/h4-12,17-18H,13H2,1-3H3
InChIKeyLCHDHTVZTAOWTG-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
CID 62454693
N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline
CID 68584569
2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 82726931
2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 83235004
1-(3-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24900270
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 62452895
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
CID 62485758
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine
CID 62454029
N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline
CID 62485408
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
CID 64708993
N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116803622

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline?
The IUPAC name of N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline (CID 62484883) is N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline is CNCC(Oc1cccc(N(C)C)c1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline?
The InChIKey is LCHDHTVZTAOWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-13-17(14-8-5-4-6-9-14)20-16-11-7-10-15(12-16)19(2)3/h4-12,17-18H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline?
N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline is sourced from PubChem (CID 62484883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).