3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline

C19H25NO3 — CID 54803087

IUPAC3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
SMILESCOCCOc1cccc(NCC(C)Oc2ccc(C)cc2)c1
InChIInChI=1S/C19H25NO3/c1-15-7-9-18(10-8-15)23-16(2)14-20-17-5-4-6-19(13-17)22-12-11-21-3/h4-10,13,16,20H,11-12,14H2,1-3H3
InChIKeyACPPTJXYZADJQD-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.90
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline

3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline (PubChem CID 54803087) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
PubChem CID54803087
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
SMILESCOCCOc1cccc(NCC(C)Oc2ccc(C)cc2)c1
InChIInChI=1S/C19H25NO3/c1-15-7-9-18(10-8-15)23-16(2)14-20-17-5-4-6-19(13-17)22-12-11-21-3/h4-10,13,16,20H,11-12,14H2,1-3H3
InChIKeyACPPTJXYZADJQD-UHFFFAOYSA-N
XLogP3.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803138
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803104
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183
3-butoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 46736300
N-[2-(4-methoxyphenoxy)propyl]-3-(3-methylbutoxy)aniline
CID 54800565
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 46736308
N-(2,2-dimethoxyethyl)-3-(2-methoxyethoxy)aniline
CID 63698128
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
CID 54800741
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54802754
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline
CID 54801327
N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
CID 54797523

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline?
The IUPAC name of 3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline (CID 54803087) is 3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline is COCCOc1cccc(NCC(C)Oc2ccc(C)cc2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline?
The InChIKey is ACPPTJXYZADJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-15-7-9-18(10-8-15)23-16(2)14-20-17-5-4-6-19(13-17)22-12-11-21-3/h4-10,13,16,20H,11-12,14H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline?
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline has a molecular weight of 315.41 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline is sourced from PubChem (CID 54803087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).