N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine

C21H19F2NS — CID 42924852

IUPACN-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine
SMILESFc1ccc(CNC(c2ccc3c(c2)CCC3)c2cccs2)c(F)c1
InChIInChI=1S/C21H19F2NS/c22-18-9-8-17(19(23)12-18)13-24-21(20-5-2-10-25-20)16-7-6-14-3-1-4-15(14)11-16/h2,5-12,21,24H,1,3-4,13H2
InChIKeyWLGMCRKDYDZHPO-UHFFFAOYSA-N
MW355.45 g/mol
LogP5.39
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine

N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine (PubChem CID 42924852) has the molecular formula C21H19F2NS and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine
PubChem CID42924852
Molecular FormulaC21H19F2NS
Molecular Weight355.45 g/mol
Exact Mass355.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine
SMILESFc1ccc(CNC(c2ccc3c(c2)CCC3)c2cccs2)c(F)c1
InChIInChI=1S/C21H19F2NS/c22-18-9-8-17(19(23)12-18)13-24-21(20-5-2-10-25-20)16-7-6-14-3-1-4-15(14)11-16/h2,5-12,21,24H,1,3-4,13H2
InChIKeyWLGMCRKDYDZHPO-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine with MolForge

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Related Compounds

4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol
CID 42924851
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
CID 92534650
2-(2,3-dihydro-1H-inden-5-yl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-oxoacetamide
CID 95146289
N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595
[(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 105303372
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17392078
methyl 3-[[2-[[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]acetyl]amino]-4-methylbenzoate
CID 41037163
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
CID 63020418
N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 43773033

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine (CID 42924852) is N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine is Fc1ccc(CNC(c2ccc3c(c2)CCC3)c2cccs2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine?
The InChIKey is WLGMCRKDYDZHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NS/c22-18-9-8-17(19(23)12-18)13-24-21(20-5-2-10-25-20)16-7-6-14-3-1-4-15(14)11-16/h2,5-12,21,24H,1,3-4,13H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine?
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine has a molecular weight of 355.45 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 42924852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).