3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol

C16H26N2O2 — CID 102859994

IUPAC3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol
SMILESNc1ccc(OCCCN(CCCO)C2CCC2)cc1
InChIInChI=1S/C16H26N2O2/c17-14-6-8-16(9-7-14)20-13-3-11-18(10-2-12-19)15-4-1-5-15/h6-9,15,19H,1-5,10-13,17H2
InChIKeyXILPWBOVSSYAMF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.27
Rot. Bonds9

About 3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol

3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol (PubChem CID 102859994) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol
PubChem CID102859994
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol
SMILESNc1ccc(OCCCN(CCCO)C2CCC2)cc1
InChIInChI=1S/C16H26N2O2/c17-14-6-8-16(9-7-14)20-13-3-11-18(10-2-12-19)15-4-1-5-15/h6-9,15,19H,1-5,10-13,17H2
InChIKeyXILPWBOVSSYAMF-UHFFFAOYSA-N
XLogP2.27
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-aminophenoxy)ethyl-cyclopentylamino]ethanol
CID 54993366
3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
CID 102860586
4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline
CID 61439026
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041
2-[2-(4-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 60911429
3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
CID 102848724
3-[3-[cyclobutyl(2-hydroxyethyl)amino]propoxy]benzonitrile
CID 102676503
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[2-[cyclobutyl(3-hydroxypropyl)amino]ethoxy]benzoic acid
CID 102863854
3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol
CID 102860071
2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol
CID 60696695

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol (CID 102859994) is 3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol is Nc1ccc(OCCCN(CCCO)C2CCC2)cc1.
What is the InChIKey of 3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol?
The InChIKey is XILPWBOVSSYAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-14-6-8-16(9-7-14)20-13-3-11-18(10-2-12-19)15-4-1-5-15/h6-9,15,19H,1-5,10-13,17H2.
What are the key properties of 3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol?
3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102859994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).