N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline

C25H29NO3 — CID 54800741

IUPACN-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
SMILESCc1cccc(C)c1OC(C)CNc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C25H29NO3/c1-19-9-7-10-20(2)25(19)29-21(3)18-26-22-11-8-14-24(17-22)28-16-15-27-23-12-5-4-6-13-23/h4-14,17,21,26H,15-16,18H2,1-3H3
InChIKeyZVQGRALTLVZLOK-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.64
Rot. Bonds10

About N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline

N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline (PubChem CID 54800741) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
PubChem CID54800741
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC NameN-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
SMILESCc1cccc(C)c1OC(C)CNc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C25H29NO3/c1-19-9-7-10-20(2)25(19)29-21(3)18-26-22-11-8-14-24(17-22)28-16-15-27-23-12-5-4-6-13-23/h4-14,17,21,26H,15-16,18H2,1-3H3
InChIKeyZVQGRALTLVZLOK-UHFFFAOYSA-N
XLogP5.64
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.64
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-(2-methoxyethoxy)aniline
CID 54803104
N-[2-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropoxy)aniline
CID 54801863
3-(3-methylbutoxy)-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800540
3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800925
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087
2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 17123595
N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline
CID 54802599
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183
N-[2-(4-tert-butylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803138
3-butoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 46736300
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
N-[2-(2-chlorophenoxy)propyl]-3-propoxyaniline
CID 54800568

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline (CID 54800741) is N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline is Cc1cccc(C)c1OC(C)CNc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline?
The InChIKey is ZVQGRALTLVZLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-19-9-7-10-20(2)25(19)29-21(3)18-26-22-11-8-14-24(17-22)28-16-15-27-23-12-5-4-6-13-23/h4-14,17,21,26H,15-16,18H2,1-3H3.
What are the key properties of N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline?
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline has a molecular weight of 391.51 g/mol, XLogP of 5.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline is sourced from PubChem (CID 54800741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).