3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride

C16H24Cl2N2O — CID 23623279

IUPAC3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
SMILESCN(C)CCCN1CCc2oc3ccccc3c2C1.Cl.Cl
InChIInChI=1S/C16H22N2O.2ClH/c1-17(2)9-5-10-18-11-8-16-14(12-18)13-6-3-4-7-15(13)19-16;;/h3-4,6-7H,5,8-12H2,1-2H3;2*1H
InChIKeyFWHSITRPBOVUNF-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.59
Rot. Bonds4

About 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride

3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride (PubChem CID 23623279) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
PubChem CID23623279
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
SMILESCN(C)CCCN1CCc2oc3ccccc3c2C1.Cl.Cl
InChIInChI=1S/C16H22N2O.2ClH/c1-17(2)9-5-10-18-11-8-16-14(12-18)13-6-3-4-7-15(13)19-16;;/h3-4,6-7H,5,8-12H2,1-2H3;2*1H
InChIKeyFWHSITRPBOVUNF-UHFFFAOYSA-N
XLogP3.59
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride 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-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
CID 91125109
5-[3-(dimethylamino)propyl]-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;dihydrochloride
CID 82022556
2-ethyl-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
CID 170406166
3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-(111C)methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 46209441
3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-1,3-benzoxazine-2,4-dione
CID 71606441
4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one
CID 97356822
5-(8-hydroxy-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2,2-diphenylpentanenitrile
CID 70966268
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylethanamine
CID 110456896
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 19883229
3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid
CID 21243262
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride?
The IUPAC name of 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride (CID 23623279) is 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride?
The canonical SMILES for 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride is CN(C)CCCN1CCc2oc3ccccc3c2C1.Cl.Cl.
What is the InChIKey of 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride?
The InChIKey is FWHSITRPBOVUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.2ClH/c1-17(2)9-5-10-18-11-8-16-14(12-18)13-6-3-4-7-15(13)19-16;;/h3-4,6-7H,5,8-12H2,1-2H3;2*1H.
What are the key properties of 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride?
3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 23623279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).