4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline

C16H20N2O — CID 144504905

IUPAC4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
SMILESCc1cc(CCN)cc(C)c1Oc1ccc(N)cc1
InChIInChI=1S/C16H20N2O/c1-11-9-13(7-8-17)10-12(2)16(11)19-15-5-3-14(18)4-6-15/h3-6,9-10H,7-8,17-18H2,1-2H3
InChIKeyHAAXJBYSDWBQMF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.18
Rot. Bonds4

About 4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline

4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline (PubChem CID 144504905) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
PubChem CID144504905
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
SMILESCc1cc(CCN)cc(C)c1Oc1ccc(N)cc1
InChIInChI=1S/C16H20N2O/c1-11-9-13(7-8-17)10-12(2)16(11)19-15-5-3-14(18)4-6-15/h3-6,9-10H,7-8,17-18H2,1-2H3
InChIKeyHAAXJBYSDWBQMF-UHFFFAOYSA-N
XLogP3.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-4-phenoxyphenyl)propan-1-amine;ethane
CID 144504819
4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline
CID 15373716
4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline
CID 22141605
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
4-[2-[[2-(4-aminophenoxy)-5-tert-butyl-3-methylphenyl]methyl]-4-tert-butyl-6-methylphenoxy]aniline
CID 22141627
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene
CID 82090358
2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
CID 107726956
2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
4-[2-[1-[2-(4-aminophenoxy)-3,5-dimethylphenyl]cyclopentyl]-4,6-dimethylphenoxy]aniline
CID 139673064

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline?
The IUPAC name of 4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline (CID 144504905) is 4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline.
What is the SMILES notation for 4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline?
The canonical SMILES for 4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline is Cc1cc(CCN)cc(C)c1Oc1ccc(N)cc1.
What is the InChIKey of 4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline?
The InChIKey is HAAXJBYSDWBQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-9-13(7-8-17)10-12(2)16(11)19-15-5-3-14(18)4-6-15/h3-6,9-10H,7-8,17-18H2,1-2H3.
What are the key properties of 4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline?
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline is sourced from PubChem (CID 144504905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).