N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline

C17H22N2O — CID 62584415

IUPACN-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
SMILESCc1ccccc1NCCOc1cccc(N(C)C)c1
InChIInChI=1S/C17H22N2O/c1-14-7-4-5-10-17(14)18-11-12-20-16-9-6-8-15(13-16)19(2)3/h4-10,13,18H,11-12H2,1-3H3
InChIKeyYNKVRUZPGAKCQH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.55
Rot. Bonds6

About N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline

N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline (PubChem CID 62584415) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
PubChem CID62584415
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
SMILESCc1ccccc1NCCOc1cccc(N(C)C)c1
InChIInChI=1S/C17H22N2O/c1-14-7-4-5-10-17(14)18-11-12-20-16-9-6-8-15(13-16)19(2)3/h4-10,13,18H,11-12H2,1-3H3
InChIKeyYNKVRUZPGAKCQH-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
CID 63505898
3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
CID 115377712
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylaniline
CID 82726941
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline
CID 62584977
3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
CID 141496983
N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
CID 79403547

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline?
The IUPAC name of N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline (CID 62584415) is N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline?
The canonical SMILES for N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline is Cc1ccccc1NCCOc1cccc(N(C)C)c1.
What is the InChIKey of N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline?
The InChIKey is YNKVRUZPGAKCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-7-4-5-10-17(14)18-11-12-20-16-9-6-8-15(13-16)19(2)3/h4-10,13,18H,11-12H2,1-3H3.
What are the key properties of N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline?
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline is sourced from PubChem (CID 62584415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).