[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol

C17H21NOS — CID 79137526

IUPAC[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2(CN)CCc3ccccc32)c(C)s1
InChIInChI=1S/C17H21NOS/c1-11-9-14(12(2)20-11)16(19)17(10-18)8-7-13-5-3-4-6-15(13)17/h3-6,9,16,19H,7-8,10,18H2,1-2H3
InChIKeyFHSYIDNLDLCLSV-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.24
Rot. Bonds3

About [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 79137526) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID79137526
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2(CN)CCc3ccccc32)c(C)s1
InChIInChI=1S/C17H21NOS/c1-11-9-14(12(2)20-11)16(19)17(10-18)8-7-13-5-3-4-6-15(13)17/h3-6,9,16,19H,7-8,10,18H2,1-2H3
InChIKeyFHSYIDNLDLCLSV-UHFFFAOYSA-N
XLogP3.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol
CID 79137764
1-[(2,5-dimethylthiophen-3-yl)-hydroxymethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79125840
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol
CID 79123653
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol
CID 79138518
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,3-dimethylpyrazol-4-yl)methanol
CID 83095188
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 79595903
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol
CID 79124777
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol
CID 79427568
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylpyrimidin-4-yl)methanol
CID 115530059
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol
CID 79123645
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol
CID 79125450
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol
CID 79134701

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol (CID 79137526) is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol is Cc1cc(C(O)C2(CN)CCc3ccccc32)c(C)s1.
What is the InChIKey of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is FHSYIDNLDLCLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-11-9-14(12(2)20-11)16(19)17(10-18)8-7-13-5-3-4-6-15(13)17/h3-6,9,16,19H,7-8,10,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol?
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol has a molecular weight of 287.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 79137526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).