6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol

C24H27NOS — CID 144795046

IUPAC6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc(Cc2csc(-c3cc4c(cc3O)CCC4)c2)c(C)cc1CCN
InChIInChI=1S/C24H27NOS/c1-15-9-21(16(2)8-18(15)6-7-25)10-17-11-24(27-14-17)22-12-19-4-3-5-20(19)13-23(22)26/h8-9,11-14,26H,3-7,10,25H2,1-2H3
InChIKeyKXLCGHFGSWYEAL-UHFFFAOYSA-N
MW377.55 g/mol
LogP5.32
Rot. Bonds5

About 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol

6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 144795046) has the molecular formula C24H27NOS and a molecular weight of 377.55 g/mol. Its IUPAC name is 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol
PubChem CID144795046
Molecular FormulaC24H27NOS
Molecular Weight377.55 g/mol
Exact Mass377.18
IUPAC Name6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc(Cc2csc(-c3cc4c(cc3O)CCC4)c2)c(C)cc1CCN
InChIInChI=1S/C24H27NOS/c1-15-9-21(16(2)8-18(15)6-7-25)10-17-11-24(27-14-17)22-12-19-4-3-5-20(19)13-23(22)26/h8-9,11-14,26H,3-7,10,25H2,1-2H3
InChIKeyKXLCGHFGSWYEAL-UHFFFAOYSA-N
XLogP5.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.55
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol with MolForge

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Related Compounds

2-[2,5-dimethyl-4-[[5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)thiophen-3-yl]methyl]phenyl]ethanamine
CID 144794894
2-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117282549
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58219551
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
2-[2-methyl-5-(2-methylcyclopropyl)-4-[[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-thiazol-4-yl]methyl]phenyl]ethanamine
CID 144794698
5-(2-aminoethyl)-2-bromo-4-methylphenol
CID 84793488
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364
2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 83969649
3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313250
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 117283969
2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117294086

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol (CID 144795046) is 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol is Cc1cc(Cc2csc(-c3cc4c(cc3O)CCC4)c2)c(C)cc1CCN.
What is the InChIKey of 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is KXLCGHFGSWYEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NOS/c1-15-9-21(16(2)8-18(15)6-7-25)10-17-11-24(27-14-17)22-12-19-4-3-5-20(19)13-23(22)26/h8-9,11-14,26H,3-7,10,25H2,1-2H3.
What are the key properties of 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol?
6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 377.55 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(2-aminoethyl)-2,5-dimethylphenyl]methyl]thiophen-2-yl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 144795046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).