4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol

C17H30N2O2 — CID 43193475

IUPAC4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol
SMILESCCN(CC)CCCC(C)NC(C)c1ccc(O)cc1O
InChIInChI=1S/C17H30N2O2/c1-5-19(6-2)11-7-8-13(3)18-14(4)16-10-9-15(20)12-17(16)21/h9-10,12-14,18,20-21H,5-8,11H2,1-4H3
InChIKeyOZDHUMWOXVYCIN-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.26
Rot. Bonds9

About 4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol

4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol (PubChem CID 43193475) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol
PubChem CID43193475
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol
SMILESCCN(CC)CCCC(C)NC(C)c1ccc(O)cc1O
InChIInChI=1S/C17H30N2O2/c1-5-19(6-2)11-7-8-13(3)18-14(4)16-10-9-15(20)12-17(16)21/h9-10,12-14,18,20-21H,5-8,11H2,1-4H3
InChIKeyOZDHUMWOXVYCIN-UHFFFAOYSA-N
XLogP3.26
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-(dimethylamino)butan-2-ylamino]ethyl]benzene-1,3-diol
CID 54963661
2-[1-(hexan-2-ylamino)ethyl]-5-methylphenol
CID 62196420
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
4-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]benzene-1,3-diol
CID 43205361
1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
CID 43178400
5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 43099355
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
CID 43193468
2-[1-[4-(dimethylamino)butan-2-ylamino]ethyl]-5-methylphenol
CID 54963614
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
4-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]benzene-1,3-diol
CID 61245954

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol (CID 43193475) is 4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol is CCN(CC)CCCC(C)NC(C)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol?
The InChIKey is OZDHUMWOXVYCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-19(6-2)11-7-8-13(3)18-14(4)16-10-9-15(20)12-17(16)21/h9-10,12-14,18,20-21H,5-8,11H2,1-4H3.
What are the key properties of 4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol?
4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol has a molecular weight of 294.44 g/mol, XLogP of 3.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(diethylamino)pentan-2-ylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 43193475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).