3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol

C16H26N2O2 — CID 102860586

IUPAC3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
SMILESNCc1ccc(OCCN(CCCO)C2CCC2)cc1
InChIInChI=1S/C16H26N2O2/c17-13-14-5-7-16(8-6-14)20-12-10-18(9-2-11-19)15-3-1-4-15/h5-8,15,19H,1-4,9-13,17H2
InChIKeyKSXFYYWBZORHFN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.76
Rot. Bonds9

About 3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol

3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol (PubChem CID 102860586) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
PubChem CID102860586
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
SMILESNCc1ccc(OCCN(CCCO)C2CCC2)cc1
InChIInChI=1S/C16H26N2O2/c17-13-14-5-7-16(8-6-14)20-12-10-18(9-2-11-19)15-3-1-4-15/h5-8,15,19H,1-4,9-13,17H2
InChIKeyKSXFYYWBZORHFN-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol
CID 102859994
N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
CID 43270088
2-[2-(4-aminophenoxy)ethyl-cyclopentylamino]ethanol
CID 54993366
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
3-[2-[cyclobutyl(3-hydroxypropyl)amino]ethoxy]benzoic acid
CID 102863854
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041
2-[2-(4-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 60911429
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332
3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
CID 102848724
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860571
3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860629

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol (CID 102860586) is 3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol is NCc1ccc(OCCN(CCCO)C2CCC2)cc1.
What is the InChIKey of 3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol?
The InChIKey is KSXFYYWBZORHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-13-14-5-7-16(8-6-14)20-12-10-18(9-2-11-19)15-3-1-4-15/h5-8,15,19H,1-4,9-13,17H2.
What are the key properties of 3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol?
3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102860586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).