5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol

C16H28N2O2 — CID 107198493

IUPAC5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)CCCOc1ccccc1CN
InChIInChI=1S/C16H28N2O2/c1-18(10-5-2-6-12-19)11-7-13-20-16-9-4-3-8-15(16)14-17/h3-4,8-9,19H,2,5-7,10-14,17H2,1H3
InChIKeyNZUSSPIZIBPAMR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.01
Rot. Bonds11

About 5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol

5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol (PubChem CID 107198493) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol
PubChem CID107198493
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)CCCOc1ccccc1CN
InChIInChI=1S/C16H28N2O2/c1-18(10-5-2-6-12-19)11-7-13-20-16-9-4-3-8-15(16)14-17/h3-4,8-9,19H,2,5-7,10-14,17H2,1H3
InChIKeyNZUSSPIZIBPAMR-UHFFFAOYSA-N
XLogP2.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.01
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

N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 43530885
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol
CID 102860726
2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
CID 110908229
2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide
CID 43374698
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
CID 107198256
2-[2-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 43575739
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 61416325

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol (CID 107198493) is 5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol is CN(CCCCCO)CCCOc1ccccc1CN.
What is the InChIKey of 5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol?
The InChIKey is NZUSSPIZIBPAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-18(10-5-2-6-12-19)11-7-13-20-16-9-4-3-8-15(16)14-17/h3-4,8-9,19H,2,5-7,10-14,17H2,1H3.
What are the key properties of 5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol?
5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 2.01, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107198493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).