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

C12H20N2O — CID 16773168

IUPAC2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol
SMILESCC(NCCN(C)C)c1ccccc1O
InChIInChI=1S/C12H20N2O/c1-10(13-8-9-14(2)3)11-6-4-5-7-12(11)15/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyOWDXXRPQJUHHRT-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.60
Rot. Bonds5

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

2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol (PubChem CID 16773168) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol
PubChem CID16773168
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol
SMILESCC(NCCN(C)C)c1ccccc1O
InChIInChI=1S/C12H20N2O/c1-10(13-8-9-14(2)3)11-6-4-5-7-12(11)15/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyOWDXXRPQJUHHRT-UHFFFAOYSA-N
XLogP1.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.60
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

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Nap-226-90
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N,N-bis[2-hydroxybenzyl]amine
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2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-((Dimethylamino)methyl)phenol
CID 32897
3-(1-Dimethylaminoethyl)phenol
CID 409441
2-(2-(Methylamino)propyl)phenol
CID 11405
Bis[(dimethylamino)methyl]phenol
CID 3018067
P-Hydroxymethamphetamine
CID 158815
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 13904714
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
2,2'-(Ethane-1,2-diylbis(azanediylmethylene))diphenol
CID 199210

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol?
The IUPAC name of 2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol (CID 16773168) is 2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol is CC(NCCN(C)C)c1ccccc1O.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol?
The InChIKey is OWDXXRPQJUHHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(13-8-9-14(2)3)11-6-4-5-7-12(11)15/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol?
2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol has a molecular weight of 208.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethylamino]ethyl]phenol is sourced from PubChem (CID 16773168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).