2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol

C16H26N2O2 — CID 102860726

IUPAC2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol
SMILESNCc1ccccc1OCCCN(CCO)C1CCC1
InChIInChI=1S/C16H26N2O2/c17-13-14-5-1-2-8-16(14)20-12-4-9-18(10-11-19)15-6-3-7-15/h1-2,5,8,15,19H,3-4,6-7,9-13,17H2
InChIKeyULTLZCHSRNMJCS-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.76
Rot. Bonds9

About 2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol

2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol (PubChem CID 102860726) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol
PubChem CID102860726
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol
SMILESNCc1ccccc1OCCCN(CCO)C1CCC1
InChIInChI=1S/C16H26N2O2/c17-13-14-5-1-2-8-16(14)20-12-4-9-18(10-11-19)15-6-3-7-15/h1-2,5,8,15,19H,3-4,6-7,9-13,17H2
InChIKeyULTLZCHSRNMJCS-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

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 62014085
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol
CID 107198493
N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine
CID 43610827
3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
CID 102848832
N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine
CID 43530803
[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 43254199
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol
CID 102859994
[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
CID 114157332
2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol
CID 107227275
2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 54994962

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol (CID 102860726) is 2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol is NCc1ccccc1OCCCN(CCO)C1CCC1.
What is the InChIKey of 2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol?
The InChIKey is ULTLZCHSRNMJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-13-14-5-1-2-8-16(14)20-12-4-9-18(10-11-19)15-6-3-7-15/h1-2,5,8,15,19H,3-4,6-7,9-13,17H2.
What are the key properties of 2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol?
2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol 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 2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102860726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).