2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol

C18H26N2O — CID 63700824

IUPAC2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol
SMILESCN(C)CCCN(C)CC(O)c1cccc2ccccc12
InChIInChI=1S/C18H26N2O/c1-19(2)12-7-13-20(3)14-18(21)17-11-6-9-15-8-4-5-10-16(15)17/h4-6,8-11,18,21H,7,12-14H2,1-3H3
InChIKeyALHGURWUYQVMJV-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.76
Rot. Bonds7

About 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol

2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol (PubChem CID 63700824) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol
PubChem CID63700824
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol
SMILESCN(C)CCCN(C)CC(O)c1cccc2ccccc12
InChIInChI=1S/C18H26N2O/c1-19(2)12-7-13-20(3)14-18(21)17-11-6-9-15-8-4-5-10-16(15)17/h4-6,8-11,18,21H,7,12-14H2,1-3H3
InChIKeyALHGURWUYQVMJV-UHFFFAOYSA-N
XLogP2.76
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol
CID 62861024
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-ethoxyphenyl)ethanol
CID 55228321
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine
CID 43294791
(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
CID 78948192
2-[3-(dimethylamino)propyl-methylamino]-1-(4-methoxyphenyl)ethanol
CID 63698745
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine
CID 43271175
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
CID 91999379
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
5-(dimethylamino)-1-naphthalen-1-ylpentan-2-ol
CID 70057285

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol (CID 63700824) is 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol is CN(C)CCCN(C)CC(O)c1cccc2ccccc12.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol?
The InChIKey is ALHGURWUYQVMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19(2)12-7-13-20(3)14-18(21)17-11-6-9-15-8-4-5-10-16(15)17/h4-6,8-11,18,21H,7,12-14H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol?
2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol has a molecular weight of 286.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol is sourced from PubChem (CID 63700824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).