2-[3-(dimethylamino)phenoxy]-4-methylaniline

C15H18N2O — CID 26189579

IUPAC2-[3-(dimethylamino)phenoxy]-4-methylaniline
SMILESCc1ccc(N)c(Oc2cccc(N(C)C)c2)c1
InChIInChI=1S/C15H18N2O/c1-11-7-8-14(16)15(9-11)18-13-6-4-5-12(10-13)17(2)3/h4-10H,16H2,1-3H3
InChIKeyNEHKOTJSDIGMDN-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.44
Rot. Bonds3

About 2-[3-(dimethylamino)phenoxy]-4-methylaniline

2-[3-(dimethylamino)phenoxy]-4-methylaniline (PubChem CID 26189579) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenoxy]-4-methylaniline.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenoxy]-4-methylaniline
PubChem CID26189579
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[3-(dimethylamino)phenoxy]-4-methylaniline
SMILESCc1ccc(N)c(Oc2cccc(N(C)C)c2)c1
InChIInChI=1S/C15H18N2O/c1-11-7-8-14(16)15(9-11)18-13-6-4-5-12(10-13)17(2)3/h4-10H,16H2,1-3H3
InChIKeyNEHKOTJSDIGMDN-UHFFFAOYSA-N
XLogP3.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
4-bromo-2-[3-(dimethylamino)phenoxy]aniline
CID 65342268
2-(3-tert-butylphenoxy)-4-methylaniline
CID 26189582
2-(3-ethoxyphenoxy)-4-methylaniline
CID 26189621
2,4-bis(3-methylphenoxy)aniline
CID 34173748
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
2-amino-3-[3-(dimethylamino)phenoxy]benzonitrile
CID 104717231
3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251021
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 81061272
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenoxy]-4-methylaniline?
The IUPAC name of 2-[3-(dimethylamino)phenoxy]-4-methylaniline (CID 26189579) is 2-[3-(dimethylamino)phenoxy]-4-methylaniline.
What is the SMILES notation for 2-[3-(dimethylamino)phenoxy]-4-methylaniline?
The canonical SMILES for 2-[3-(dimethylamino)phenoxy]-4-methylaniline is Cc1ccc(N)c(Oc2cccc(N(C)C)c2)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenoxy]-4-methylaniline?
The InChIKey is NEHKOTJSDIGMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-7-8-14(16)15(9-11)18-13-6-4-5-12(10-13)17(2)3/h4-10H,16H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)phenoxy]-4-methylaniline?
2-[3-(dimethylamino)phenoxy]-4-methylaniline has a molecular weight of 242.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenoxy]-4-methylaniline is sourced from PubChem (CID 26189579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).