5-[(3-ethoxyphenyl)methylamino]pentan-1-ol

C14H23NO2 — CID 17206726

IUPAC5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
SMILESCCOc1cccc(CNCCCCCO)c1
InChIInChI=1S/C14H23NO2/c1-2-17-14-8-6-7-13(11-14)12-15-9-4-3-5-10-16/h6-8,11,15-16H,2-5,9-10,12H2,1H3
InChIKeyRJWUANWAKJFRFM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.34
Rot. Bonds9

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

5-[(3-ethoxyphenyl)methylamino]pentan-1-ol (PubChem CID 17206726) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-[(3-ethoxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
PubChem CID17206726
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
SMILESCCOc1cccc(CNCCCCCO)c1
InChIInChI=1S/C14H23NO2/c1-2-17-14-8-6-7-13(11-14)12-15-9-4-3-5-10-16/h6-8,11,15-16H,2-5,9-10,12H2,1H3
InChIKeyRJWUANWAKJFRFM-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.34
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

N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
N'-[(3-ethoxyphenyl)methyl]butane-1,4-diamine
CID 60895275
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302851
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905042
5-[(3,4-diethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211681
methyl 3-[(3-ethoxyphenyl)methylamino]propanoate
CID 60874455
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(3-ethoxyphenyl)methylamino]pentan-1-ol (CID 17206726) is 5-[(3-ethoxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3-ethoxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3-ethoxyphenyl)methylamino]pentan-1-ol is CCOc1cccc(CNCCCCCO)c1.
What is the InChIKey of 5-[(3-ethoxyphenyl)methylamino]pentan-1-ol?
The InChIKey is RJWUANWAKJFRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-17-14-8-6-7-13(11-14)12-15-9-4-3-5-10-16/h6-8,11,15-16H,2-5,9-10,12H2,1H3.
What are the key properties of 5-[(3-ethoxyphenyl)methylamino]pentan-1-ol?
5-[(3-ethoxyphenyl)methylamino]pentan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 17206726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).