5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol

C15H25NO2 — CID 113350527

IUPAC5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
SMILESCCOc1ccccc1C(C)NCCCCCO
InChIInChI=1S/C15H25NO2/c1-3-18-15-10-6-5-9-14(15)13(2)16-11-7-4-8-12-17/h5-6,9-10,13,16-17H,3-4,7-8,11-12H2,1-2H3
InChIKeyREGJEPDRIBAELH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds9

About 5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol

5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol (PubChem CID 113350527) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
PubChem CID113350527
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
SMILESCCOc1ccccc1C(C)NCCCCCO
InChIInChI=1S/C15H25NO2/c1-3-18-15-10-6-5-9-14(15)13(2)16-11-7-4-8-12-17/h5-6,9-10,13,16-17H,3-4,7-8,11-12H2,1-2H3
InChIKeyREGJEPDRIBAELH-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 106840787
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057
N-[1-(2-ethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097849

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol (CID 113350527) is 5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol is CCOc1ccccc1C(C)NCCCCCO.
What is the InChIKey of 5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol?
The InChIKey is REGJEPDRIBAELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-18-15-10-6-5-9-14(15)13(2)16-11-7-4-8-12-17/h5-6,9-10,13,16-17H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol?
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol is sourced from PubChem (CID 113350527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).