N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

C19H25NS — CID 106892800

IUPACN-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C1Cc2ccccc2C1
InChIInChI=1S/C19H25NS/c1-4-9-20-18(19-13(2)10-14(3)21-19)17-11-15-7-5-6-8-16(15)12-17/h5-8,10,17-18,20H,4,9,11-12H2,1-3H3
InChIKeyHEXBOSDGTNGLHP-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.82
Rot. Bonds5

About N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 106892800) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID106892800
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C1Cc2ccccc2C1
InChIInChI=1S/C19H25NS/c1-4-9-20-18(19-13(2)10-14(3)21-19)17-11-15-7-5-6-8-16(15)12-17/h5-8,10,17-18,20H,4,9,11-12H2,1-3H3
InChIKeyHEXBOSDGTNGLHP-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]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

N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155915
N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65410330
N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825356
N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65412296
N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81163668
N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106892715
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107178074
N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 81155528
N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157381
1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 81157389
N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 81156942
N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001275

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (CID 106892800) is N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sc(C)cc1C)C1Cc2ccccc2C1.
What is the InChIKey of N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is HEXBOSDGTNGLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-9-20-18(19-13(2)10-14(3)21-19)17-11-15-7-5-6-8-16(15)12-17/h5-8,10,17-18,20H,4,9,11-12H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106892800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).