2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol

C16H22N2O — CID 16787222

IUPAC2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
SMILESCC(NCCN(C)C)c1ccc2ccccc2c1O
InChIInChI=1S/C16H22N2O/c1-12(17-10-11-18(2)3)14-9-8-13-6-4-5-7-15(13)16(14)19/h4-9,12,17,19H,10-11H2,1-3H3
InChIKeyOZMOXRBONWUEAM-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.76
Rot. Bonds5

About 2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol

2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol (PubChem CID 16787222) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
PubChem CID16787222
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
SMILESCC(NCCN(C)C)c1ccc2ccccc2c1O
InChIInChI=1S/C16H22N2O/c1-12(17-10-11-18(2)3)14-9-8-13-6-4-5-7-15(13)16(14)19/h4-9,12,17,19H,10-11H2,1-3H3
InChIKeyOZMOXRBONWUEAM-UHFFFAOYSA-N
XLogP2.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.76
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-methylsulfinylethylamino)ethyl]naphthalen-1-ol
CID 104582523
2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
CID 115516053
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
CID 43111802
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
CID 43207266
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
CID 61474992
2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol
CID 104584157
2-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 63981736
2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
CID 104582361
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]naphthalen-1-ol
CID 64547757

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol (CID 16787222) is 2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol is CC(NCCN(C)C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol?
The InChIKey is OZMOXRBONWUEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(17-10-11-18(2)3)14-9-8-13-6-4-5-7-15(13)16(14)19/h4-9,12,17,19H,10-11H2,1-3H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol?
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol has a molecular weight of 258.37 g/mol, XLogP of 2.76, 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]naphthalen-1-ol is sourced from PubChem (CID 16787222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).