3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol

C19H33NO2 — CID 82073822

IUPAC3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol
SMILESCCCCCCOc1ccc(C(O)CCN(CC)CC)cc1
InChIInChI=1S/C19H33NO2/c1-4-7-8-9-16-22-18-12-10-17(11-13-18)19(21)14-15-20(5-2)6-3/h10-13,19,21H,4-9,14-16H2,1-3H3
InChIKeyMPYNKMGNNZGFIC-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.41
Rot. Bonds12

About 3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol

3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol (PubChem CID 82073822) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol
PubChem CID82073822
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol
SMILESCCCCCCOc1ccc(C(O)CCN(CC)CC)cc1
InChIInChI=1S/C19H33NO2/c1-4-7-8-9-16-22-18-12-10-17(11-13-18)19(21)14-15-20(5-2)6-3/h10-13,19,21H,4-9,14-16H2,1-3H3
InChIKeyMPYNKMGNNZGFIC-UHFFFAOYSA-N
XLogP4.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-butanol
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1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
1-{3-[4-(1-Hydroxy-1-propylbutyl)-phenoxy]propyl}piperidine
CID 11978735
1-[4-(3-Piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol
CID 11978736
4-[4-(3-Piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol
CID 11978737
N,N-dimethyl-3-phenoxy-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 16747689
4-(3-(Dimethylamino)-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)propoxy)benzonitrile
CID 24947377
N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-(p-tolyloxy)propan-1-amine
CID 24947378
3-(4-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947379

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol?
The IUPAC name of 3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol (CID 82073822) is 3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol is CCCCCCOc1ccc(C(O)CCN(CC)CC)cc1.
What is the InChIKey of 3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol?
The InChIKey is MPYNKMGNNZGFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-4-7-8-9-16-22-18-12-10-17(11-13-18)19(21)14-15-20(5-2)6-3/h10-13,19,21H,4-9,14-16H2,1-3H3.
What are the key properties of 3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol?
3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol has a molecular weight of 307.48 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol is sourced from PubChem (CID 82073822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).