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

C16H19NOS — CID 79138518

IUPAC[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1(CN)CCc2ccccc21
InChIInChI=1S/C16H19NOS/c1-11-7-9-19-14(11)15(18)16(10-17)8-6-12-4-2-3-5-13(12)16/h2-5,7,9,15,18H,6,8,10,17H2,1H3
InChIKeyTUDQDHIASPWUOX-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.93
Rot. Bonds3

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

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol (PubChem CID 79138518) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol
PubChem CID79138518
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1(CN)CCc2ccccc21
InChIInChI=1S/C16H19NOS/c1-11-7-9-19-14(11)15(18)16(10-17)8-6-12-4-2-3-5-13(12)16/h2-5,7,9,15,18H,6,8,10,17H2,1H3
InChIKeyTUDQDHIASPWUOX-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol 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

[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol
CID 79138969
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol
CID 79137764
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol
CID 79137526
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol
CID 79427568
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol
CID 79123653
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylpyrimidin-4-yl)methanol
CID 115530059
[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]-(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]-(3-methylthiophen-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol (CID 79138518) is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)C1(CN)CCc2ccccc21.
What is the InChIKey of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol?
The InChIKey is TUDQDHIASPWUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11-7-9-19-14(11)15(18)16(10-17)8-6-12-4-2-3-5-13(12)16/h2-5,7,9,15,18H,6,8,10,17H2,1H3.
What are the key properties of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol?
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol has a molecular weight of 273.40 g/mol, XLogP of 2.93, 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]-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 79138518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).