5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol

C17H29NO3 — CID 62229697

IUPAC5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol
SMILESCCCNCc1cccc(OCC)c1OCCCCCO
InChIInChI=1S/C17H29NO3/c1-3-11-18-14-15-9-8-10-16(20-4-2)17(15)21-13-7-5-6-12-19/h8-10,18-19H,3-7,11-14H2,1-2H3
InChIKeySSBPEMGZOGUZMJ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.13
Rot. Bonds12

About 5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol

5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol (PubChem CID 62229697) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol
PubChem CID62229697
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol
SMILESCCCNCc1cccc(OCC)c1OCCCCCO
InChIInChI=1S/C17H29NO3/c1-3-11-18-14-15-9-8-10-16(20-4-2)17(15)21-13-7-5-6-12-19/h8-10,18-19H,3-7,11-14H2,1-2H3
InChIKeySSBPEMGZOGUZMJ-UHFFFAOYSA-N
XLogP3.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.13
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

4-[2-ethoxy-6-(propylaminomethyl)phenoxy]butanenitrile
CID 60881898
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006070
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
CID 63057479
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine
CID 17206158
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17206157
2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214307
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 6472106

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol?
The IUPAC name of 5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol (CID 62229697) is 5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol is CCCNCc1cccc(OCC)c1OCCCCCO.
What is the InChIKey of 5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol?
The InChIKey is SSBPEMGZOGUZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-3-11-18-14-15-9-8-10-16(20-4-2)17(15)21-13-7-5-6-12-19/h8-10,18-19H,3-7,11-14H2,1-2H3.
What are the key properties of 5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol?
5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol has a molecular weight of 295.42 g/mol, XLogP of 3.13, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol is sourced from PubChem (CID 62229697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).