4-methoxy-3-(3-phenoxypropoxy)aniline

C16H19NO3 — CID 62936938

IUPAC4-methoxy-3-(3-phenoxypropoxy)aniline
SMILESCOc1ccc(N)cc1OCCCOc1ccccc1
InChIInChI=1S/C16H19NO3/c1-18-15-9-8-13(17)12-16(15)20-11-5-10-19-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,17H2,1H3
InChIKeyASQAWKFSAOEMTR-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.13
Rot. Bonds7

About 4-methoxy-3-(3-phenoxypropoxy)aniline

4-methoxy-3-(3-phenoxypropoxy)aniline (PubChem CID 62936938) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-methoxy-3-(3-phenoxypropoxy)aniline.

Molecular Properties

Compound Name4-methoxy-3-(3-phenoxypropoxy)aniline
PubChem CID62936938
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-methoxy-3-(3-phenoxypropoxy)aniline
SMILESCOc1ccc(N)cc1OCCCOc1ccccc1
InChIInChI=1S/C16H19NO3/c1-18-15-9-8-13(17)12-16(15)20-11-5-10-19-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,17H2,1H3
InChIKeyASQAWKFSAOEMTR-UHFFFAOYSA-N
XLogP3.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-(3-phenoxypropoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxyaniline
CID 82097195
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
3-(5-amino-2-methoxyphenoxy)propanoic acid
CID 63948669
3-methoxy-4-(3-phenylsulfanylpropoxy)aniline
CID 3026891
4-(3-ethoxypropoxy)-3-methoxyaniline
CID 65176717
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
3-(2-ethylsulfonylethoxy)-4-methoxyaniline
CID 43807344
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
3-methoxy-4-phenylmethoxyaniline
CID 27226
methyl 3-(5-amino-2-methoxyphenoxy)propanoate
CID 63948668

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-phenoxypropoxy)aniline?
The IUPAC name of 4-methoxy-3-(3-phenoxypropoxy)aniline (CID 62936938) is 4-methoxy-3-(3-phenoxypropoxy)aniline.
What is the SMILES notation for 4-methoxy-3-(3-phenoxypropoxy)aniline?
The canonical SMILES for 4-methoxy-3-(3-phenoxypropoxy)aniline is COc1ccc(N)cc1OCCCOc1ccccc1.
What is the InChIKey of 4-methoxy-3-(3-phenoxypropoxy)aniline?
The InChIKey is ASQAWKFSAOEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-15-9-8-13(17)12-16(15)20-11-5-10-19-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,17H2,1H3.
What are the key properties of 4-methoxy-3-(3-phenoxypropoxy)aniline?
4-methoxy-3-(3-phenoxypropoxy)aniline has a molecular weight of 273.33 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-phenoxypropoxy)aniline is sourced from PubChem (CID 62936938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).