2-[4-(3-aminophenoxy)butoxy]aniline

C16H20N2O2 — CID 146356304

IUPAC2-[4-(3-aminophenoxy)butoxy]aniline
SMILESNc1cccc(OCCCCOc2ccccc2N)c1
InChIInChI=1S/C16H20N2O2/c17-13-6-5-7-14(12-13)19-10-3-4-11-20-16-9-2-1-8-15(16)18/h1-2,5-9,12H,3-4,10-11,17-18H2
InChIKeyNOZYYNZNKXIFLK-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.09
Rot. Bonds7

About 2-[4-(3-aminophenoxy)butoxy]aniline

2-[4-(3-aminophenoxy)butoxy]aniline (PubChem CID 146356304) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(3-aminophenoxy)butoxy]aniline.

Molecular Properties

Compound Name2-[4-(3-aminophenoxy)butoxy]aniline
PubChem CID146356304
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[4-(3-aminophenoxy)butoxy]aniline
SMILESNc1cccc(OCCCCOc2ccccc2N)c1
InChIInChI=1S/C16H20N2O2/c17-13-6-5-7-14(12-13)19-10-3-4-11-20-16-9-2-1-8-15(16)18/h1-2,5-9,12H,3-4,10-11,17-18H2
InChIKeyNOZYYNZNKXIFLK-UHFFFAOYSA-N
XLogP3.09
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-chlorophenoxy)propoxy]aniline
CID 43365954
2-[8-(3-aminophenoxy)octoxy]-6-methylaniline
CID 153401305
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244
2-[3-(3-aminophenoxy)propoxy]benzamide
CID 43174426
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
3-(5-fluoropentoxy)aniline
CID 66646082
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[2-(2,4,5-trichlorophenoxy)ethoxy]aniline
CID 43365992
N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide
CID 43174395
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminophenoxy)butoxy]aniline?
The IUPAC name of 2-[4-(3-aminophenoxy)butoxy]aniline (CID 146356304) is 2-[4-(3-aminophenoxy)butoxy]aniline.
What is the SMILES notation for 2-[4-(3-aminophenoxy)butoxy]aniline?
The canonical SMILES for 2-[4-(3-aminophenoxy)butoxy]aniline is Nc1cccc(OCCCCOc2ccccc2N)c1.
What is the InChIKey of 2-[4-(3-aminophenoxy)butoxy]aniline?
The InChIKey is NOZYYNZNKXIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-13-6-5-7-14(12-13)19-10-3-4-11-20-16-9-2-1-8-15(16)18/h1-2,5-9,12H,3-4,10-11,17-18H2.
What are the key properties of 2-[4-(3-aminophenoxy)butoxy]aniline?
2-[4-(3-aminophenoxy)butoxy]aniline has a molecular weight of 272.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminophenoxy)butoxy]aniline is sourced from PubChem (CID 146356304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).