5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol

C15H26N2O2 — CID 79603080

IUPAC5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol
SMILESCCCN(CCN(C)C)c1ccc(C(C)O)c(O)c1
InChIInChI=1S/C15H26N2O2/c1-5-8-17(10-9-16(3)4)13-6-7-14(12(2)18)15(19)11-13/h6-7,11-12,18-19H,5,8-10H2,1-4H3
InChIKeyCHHAKOMMYFPAJK-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.22
Rot. Bonds7

About 5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol

5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol (PubChem CID 79603080) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol
PubChem CID79603080
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol
SMILESCCCN(CCN(C)C)c1ccc(C(C)O)c(O)c1
InChIInChI=1S/C15H26N2O2/c1-5-8-17(10-9-16(3)4)13-6-7-14(12(2)18)15(19)11-13/h6-7,11-12,18-19H,5,8-10H2,1-4H3
InChIKeyCHHAKOMMYFPAJK-UHFFFAOYSA-N
XLogP2.22
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
CID 79604002
(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
CID 83132568
2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
CID 79604182
5-[2-hydroxyethyl(propyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79603717
2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
CID 79604011
2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol
CID 107481086
4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine
CID 106750685
2-(1-hydroxyethyl)-5-(N-methylanilino)phenol
CID 79603574
N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 58662077
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670
3-[3-hydroxy-4-(1-hydroxyethyl)-N-methylanilino]-2-methylpropanenitrile
CID 79603502

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol?
The IUPAC name of 5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol (CID 79603080) is 5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol is CCCN(CCN(C)C)c1ccc(C(C)O)c(O)c1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol?
The InChIKey is CHHAKOMMYFPAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-8-17(10-9-16(3)4)13-6-7-14(12(2)18)15(19)11-13/h6-7,11-12,18-19H,5,8-10H2,1-4H3.
What are the key properties of 5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol?
5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol has a molecular weight of 266.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol is sourced from PubChem (CID 79603080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).