5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol

C15H26N2O2 — CID 107198256

IUPAC5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)CCCOc1cccc(N)c1
InChIInChI=1S/C15H26N2O2/c1-17(9-3-2-4-11-18)10-6-12-19-15-8-5-7-14(16)13-15/h5,7-8,13,18H,2-4,6,9-12,16H2,1H3
InChIKeySNJGQDLBSURMDC-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.13
Rot. Bonds10

About 5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol

5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol (PubChem CID 107198256) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
PubChem CID107198256
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)CCCOc1cccc(N)c1
InChIInChI=1S/C15H26N2O2/c1-17(9-3-2-4-11-18)10-6-12-19-15-8-5-7-14(16)13-15/h5,7-8,13,18H,2-4,6,9-12,16H2,1H3
InChIKeySNJGQDLBSURMDC-UHFFFAOYSA-N
XLogP2.13
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.13
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

3-[3-[5-hydroxypentyl(methyl)amino]propoxy]benzenecarbothioamide
CID 107199816
2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide
CID 43374542
3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline
CID 140979271
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
6-hydroxyhexyl 2-(3-aminophenoxy)acetate
CID 107706148
3-[3-[(4-chlorophenyl)methyl-methylamino]propoxy]aniline
CID 61414637
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
3-[3-[(3-bromophenyl)methyl-methylamino]propoxy]aniline
CID 61415944
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
3-[3-[2-hydroxyethyl(methyl)amino]propoxy]benzoic acid
CID 20987555
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol (CID 107198256) is 5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol is CN(CCCCCO)CCCOc1cccc(N)c1.
What is the InChIKey of 5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol?
The InChIKey is SNJGQDLBSURMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-17(9-3-2-4-11-18)10-6-12-19-15-8-5-7-14(16)13-15/h5,7-8,13,18H,2-4,6,9-12,16H2,1H3.
What are the key properties of 5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol?
5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107198256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).