2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine

C18H23NO2 — CID 18793139

IUPAC2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
SMILESCc1ccc(OCCNCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-15-3-7-17(8-4-15)20-13-11-19-12-14-21-18-9-5-16(2)6-10-18/h3-10,19H,11-14H2,1-2H3
InChIKeyGMKSYBNQHBPOCC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.35
Rot. Bonds8

About 2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine

2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine (PubChem CID 18793139) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
PubChem CID18793139
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
SMILESCc1ccc(OCCNCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-15-3-7-17(8-4-15)20-13-11-19-12-14-21-18-9-5-16(2)6-10-18/h3-10,19H,11-14H2,1-2H3
InChIKeyGMKSYBNQHBPOCC-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.35
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

N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
N-[2-[4-(4-methylphenyl)phenoxy]ethyl]propan-1-amine
CID 63516073
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
CID 62599303
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
(2R)-2-amino-4-[2-(4-methylphenoxy)ethylamino]butanoic acid
CID 166106849
N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine
CID 82353114
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine
CID 82097769
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine (CID 18793139) is 2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine is Cc1ccc(OCCNCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine?
The InChIKey is GMKSYBNQHBPOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-3-7-17(8-4-15)20-13-11-19-12-14-21-18-9-5-16(2)6-10-18/h3-10,19H,11-14H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine?
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 18793139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).