3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine

C17H25NOS — CID 80627138

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)C1CCCCS1
InChIInChI=1S/C17H25NOS/c1-18-15(17-4-2-3-11-20-17)7-5-13-6-8-16-14(12-13)9-10-19-16/h6,8,12,15,17-18H,2-5,7,9-11H2,1H3
InChIKeyRBPBTJVORIXMTH-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.43
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine (PubChem CID 80627138) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine
PubChem CID80627138
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)C1CCCCS1
InChIInChI=1S/C17H25NOS/c1-18-15(17-4-2-3-11-20-17)7-5-13-6-8-16-14(12-13)9-10-19-16/h6,8,12,15,17-18H,2-5,7,9-11H2,1H3
InChIKeyRBPBTJVORIXMTH-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine 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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105152122
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
N-[2,3-dihydro-1-benzofuran-5-yl(thian-2-yl)methyl]propan-1-amine
CID 104542771
1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
CID 115864502
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004507
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine
CID 116722245
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712
7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine
CID 65442850
1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 115864488
1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 65445154

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine (CID 80627138) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine is CNC(CCc1ccc2c(c1)CCO2)C1CCCCS1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine?
The InChIKey is RBPBTJVORIXMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-18-15(17-4-2-3-11-20-17)7-5-13-6-8-16-14(12-13)9-10-19-16/h6,8,12,15,17-18H,2-5,7,9-11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine is sourced from PubChem (CID 80627138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).