2-[1-[2-(diethylamino)ethylamino]ethyl]phenol

C14H24N2O — CID 43194012

IUPAC2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
SMILESCCN(CC)CCNC(C)c1ccccc1O
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)11-10-15-12(3)13-8-6-7-9-14(13)17/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyYYMLPDJNEGIMSG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.38
Rot. Bonds7

About 2-[1-[2-(diethylamino)ethylamino]ethyl]phenol

2-[1-[2-(diethylamino)ethylamino]ethyl]phenol (PubChem CID 43194012) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
PubChem CID43194012
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
SMILESCCN(CC)CCNC(C)c1ccccc1O
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)11-10-15-12(3)13-8-6-7-9-14(13)17/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyYYMLPDJNEGIMSG-UHFFFAOYSA-N
XLogP2.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
CID 43191146
N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 43194008
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057
2-[2-(diethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684899
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol
CID 63226241
N',N'-diethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 43106993
N-[1-(2-aminophenyl)-2-methylpropyl]-N',N'-diethylethane-1,2-diamine
CID 139982395
3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116843
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)ethylamino]ethyl]phenol?
The IUPAC name of 2-[1-[2-(diethylamino)ethylamino]ethyl]phenol (CID 43194012) is 2-[1-[2-(diethylamino)ethylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[2-(diethylamino)ethylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[2-(diethylamino)ethylamino]ethyl]phenol is CCN(CC)CCNC(C)c1ccccc1O.
What is the InChIKey of 2-[1-[2-(diethylamino)ethylamino]ethyl]phenol?
The InChIKey is YYMLPDJNEGIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-16(5-2)11-10-15-12(3)13-8-6-7-9-14(13)17/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[1-[2-(diethylamino)ethylamino]ethyl]phenol?
2-[1-[2-(diethylamino)ethylamino]ethyl]phenol has a molecular weight of 236.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)ethylamino]ethyl]phenol is sourced from PubChem (CID 43194012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).