2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline

C16H20N2O2 — CID 153401307

IUPAC2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
SMILESCc1cccc(OCCOc2cccc(C)c2N)c1N
InChIInChI=1S/C16H20N2O2/c1-11-5-3-7-13(15(11)17)19-9-10-20-14-8-4-6-12(2)16(14)18/h3-8H,9-10,17-18H2,1-2H3
InChIKeyCVJCFIKXVHTYJT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.93
Rot. Bonds5

About 2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline

2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline (PubChem CID 153401307) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline.

Molecular Properties

Compound Name2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
PubChem CID153401307
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
SMILESCc1cccc(OCCOc2cccc(C)c2N)c1N
InChIInChI=1S/C16H20N2O2/c1-11-5-3-7-13(15(11)17)19-9-10-20-14-8-4-6-12(2)16(14)18/h3-8H,9-10,17-18H2,1-2H3
InChIKeyCVJCFIKXVHTYJT-UHFFFAOYSA-N
XLogP2.93
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-6-methylaniline
CID 82502971
2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline
CID 146356235
methyl 4-(2-amino-3-methylphenoxy)butanoate
CID 43437986
2-[8-(3-aminophenoxy)octoxy]-6-methylaniline
CID 153401305
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
2-methyl-6-(3-methylbut-2-enoxy)aniline
CID 107899463
2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol
CID 174709972
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
2-[(2-chlorophenyl)methoxy]-6-methylaniline
CID 43438077
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
2-methyl-6-trimethylsilyloxyaniline
CID 90457912

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline?
The IUPAC name of 2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline (CID 153401307) is 2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline.
What is the SMILES notation for 2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline?
The canonical SMILES for 2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline is Cc1cccc(OCCOc2cccc(C)c2N)c1N.
What is the InChIKey of 2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline?
The InChIKey is CVJCFIKXVHTYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-3-7-13(15(11)17)19-9-10-20-14-8-4-6-12(2)16(14)18/h3-8H,9-10,17-18H2,1-2H3.
What are the key properties of 2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline?
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline has a molecular weight of 272.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline is sourced from PubChem (CID 153401307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).