2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine

C18H24N2O2 — CID 59894063

IUPAC2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine
SMILESCc1ccc(-c2cc(OCCN)c(C)cc2OCCN)cc1
InChIInChI=1S/C18H24N2O2/c1-13-3-5-15(6-4-13)16-12-17(21-9-7-19)14(2)11-18(16)22-10-8-20/h3-6,11-12H,7-10,19-20H2,1-2H3
InChIKeyORIDILIHAZXHLR-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.65
Rot. Bonds7

About 2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine

2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine (PubChem CID 59894063) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine
PubChem CID59894063
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine
SMILESCc1ccc(-c2cc(OCCN)c(C)cc2OCCN)cc1
InChIInChI=1S/C18H24N2O2/c1-13-3-5-15(6-4-13)16-12-17(21-9-7-19)14(2)11-18(16)22-10-8-20/h3-6,11-12H,7-10,19-20H2,1-2H3
InChIKeyORIDILIHAZXHLR-UHFFFAOYSA-N
XLogP2.65
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

triethyl-[2-[2-methyl-5-(4-methylphenyl)-4-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium
CID 59960006
2-(4-chloro-2,5-dimethylphenoxy)ethanamine
CID 84669181
2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine
CID 163408322
2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
CID 163408307
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
CID 163407569
2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine
CID 155416860
[2,5-didecoxy-4-(4-methylphenyl)phenyl]iminoazanium
CID 20729269

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine (CID 59894063) is 2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine is Cc1ccc(-c2cc(OCCN)c(C)cc2OCCN)cc1.
What is the InChIKey of 2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine?
The InChIKey is ORIDILIHAZXHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-3-5-15(6-4-13)16-12-17(21-9-7-19)14(2)11-18(16)22-10-8-20/h3-6,11-12H,7-10,19-20H2,1-2H3.
What are the key properties of 2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine?
2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine has a molecular weight of 300.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine is sourced from PubChem (CID 59894063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).