N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline

C18H24N2O — CID 62435152

IUPACN,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
SMILESCNCc1ccc(OCCN(C)c2cccc(C)c2)cc1
InChIInChI=1S/C18H24N2O/c1-15-5-4-6-17(13-15)20(3)11-12-21-18-9-7-16(8-10-18)14-19-2/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyOKKYHDWPMINDLF-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.23
Rot. Bonds7

About N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline

N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline (PubChem CID 62435152) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
PubChem CID62435152
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
SMILESCNCc1ccc(OCCN(C)c2cccc(C)c2)cc1
InChIInChI=1S/C18H24N2O/c1-15-5-4-6-17(13-15)20(3)11-12-21-18-9-7-16(8-10-18)14-19-2/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyOKKYHDWPMINDLF-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N,3-dimethylaniline
CID 63458172
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
CID 102770280
N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 105347349
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline
CID 106530942
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline
CID 62001427
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline?
The IUPAC name of N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline (CID 62435152) is N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline.
What is the SMILES notation for N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline?
The canonical SMILES for N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline is CNCc1ccc(OCCN(C)c2cccc(C)c2)cc1.
What is the InChIKey of N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline?
The InChIKey is OKKYHDWPMINDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15-5-4-6-17(13-15)20(3)11-12-21-18-9-7-16(8-10-18)14-19-2/h4-10,13,19H,11-12,14H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline?
N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline has a molecular weight of 284.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline is sourced from PubChem (CID 62435152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).