N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline

C25H29NO3 — CID 54801861

IUPACN-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline
SMILESCOc1ccccc1OC(C)CNc1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C25H29NO3/c1-20(29-25-16-7-6-15-24(25)27-2)19-26-22-13-8-14-23(18-22)28-17-9-12-21-10-4-3-5-11-21/h3-8,10-11,13-16,18,20,26H,9,12,17,19H2,1-2H3
InChIKeyFQIOZVQAJYLDEV-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.59
Rot. Bonds11

About N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline

N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline (PubChem CID 54801861) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline
PubChem CID54801861
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC NameN-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline
SMILESCOc1ccccc1OC(C)CNc1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C25H29NO3/c1-20(29-25-16-7-6-15-24(25)27-2)19-26-22-13-8-14-23(18-22)28-17-9-12-21-10-4-3-5-11-21/h3-8,10-11,13-16,18,20,26H,9,12,17,19H2,1-2H3
InChIKeyFQIOZVQAJYLDEV-UHFFFAOYSA-N
XLogP5.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.59
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-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropoxy)aniline
CID 54801863
N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline
CID 54802599
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
N-[2-(2-methylphenoxy)butyl]-3-(3-phenylpropoxy)aniline
CID 54801839
N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline
CID 54801327
3-butoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 46736300
N-[2-(2-chlorophenoxy)propyl]-3-propoxyaniline
CID 54800568
3-(3-methylbutoxy)-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800540
N-[2-(4-methoxyphenoxy)propyl]-3-(3-methylbutoxy)aniline
CID 54800565
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
CID 54800741
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183
3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800925

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline?
The IUPAC name of N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline (CID 54801861) is N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline?
The canonical SMILES for N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline is COc1ccccc1OC(C)CNc1cccc(OCCCc2ccccc2)c1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline?
The InChIKey is FQIOZVQAJYLDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-20(29-25-16-7-6-15-24(25)27-2)19-26-22-13-8-14-23(18-22)28-17-9-12-21-10-4-3-5-11-21/h3-8,10-11,13-16,18,20,26H,9,12,17,19H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline?
N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline has a molecular weight of 391.51 g/mol, XLogP of 5.59, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline is sourced from PubChem (CID 54801861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).