2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline

C17H21NO4 — CID 54797025

IUPAC2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
SMILESCOc1ccc(OCCNc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H21NO4/c1-19-13-4-6-14(7-5-13)22-11-10-18-16-12-15(20-2)8-9-17(16)21-3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyKTHJMBSDHYFRPK-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.20
Rot. Bonds8

About 2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline

2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline (PubChem CID 54797025) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
PubChem CID54797025
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
SMILESCOc1ccc(OCCNc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H21NO4/c1-19-13-4-6-14(7-5-13)22-11-10-18-16-12-15(20-2)8-9-17(16)21-3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyKTHJMBSDHYFRPK-UHFFFAOYSA-N
XLogP3.20
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxyaniline
CID 60680640
N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
CID 54797069
4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile
CID 51248463
5-N-(2,5-dimethoxyphenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958784
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 103033084
2,5-dimethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471918
N-[3-(4-methoxyphenoxy)propyl]-2,5-dimethylaniline
CID 82095922
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The IUPAC name of 2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline (CID 54797025) is 2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The canonical SMILES for 2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline is COc1ccc(OCCNc2cc(OC)ccc2OC)cc1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The InChIKey is KTHJMBSDHYFRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-19-13-4-6-14(7-5-13)22-11-10-18-16-12-15(20-2)8-9-17(16)21-3/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline?
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline has a molecular weight of 303.36 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline is sourced from PubChem (CID 54797025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).