N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline

C18H24N2O3 — CID 11120659

IUPACN-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline
SMILESCOCCNc1ccccc1Oc1ccccc1NCCOC
InChIInChI=1S/C18H24N2O3/c1-21-13-11-19-15-7-3-5-9-17(15)23-18-10-6-4-8-16(18)20-12-14-22-2/h3-10,19-20H,11-14H2,1-2H3
InChIKeyDNYRHKREVFHEGU-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.60
Rot. Bonds10

About N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline

N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline (PubChem CID 11120659) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline
PubChem CID11120659
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline
SMILESCOCCNc1ccccc1Oc1ccccc1NCCOC
InChIInChI=1S/C18H24N2O3/c1-21-13-11-19-15-7-3-5-9-17(15)23-18-10-6-4-8-16(18)20-12-14-22-2/h3-10,19-20H,11-14H2,1-2H3
InChIKeyDNYRHKREVFHEGU-UHFFFAOYSA-N
XLogP3.60
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-ethyl-N-[2-(2-methoxyethylamino)phenyl]benzamide
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CID 62230020
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2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline?
The IUPAC name of N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline (CID 11120659) is N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline is COCCNc1ccccc1Oc1ccccc1NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline?
The InChIKey is DNYRHKREVFHEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-21-13-11-19-15-7-3-5-9-17(15)23-18-10-6-4-8-16(18)20-12-14-22-2/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline?
N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline has a molecular weight of 316.40 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline is sourced from PubChem (CID 11120659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).