[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol

C15H16ClNOS — CID 79427568

IUPAC[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2cc(Cl)cs2)CCc2ccccc21
InChIInChI=1S/C15H16ClNOS/c16-11-7-13(19-8-11)14(18)15(9-17)6-5-10-3-1-2-4-12(10)15/h1-4,7-8,14,18H,5-6,9,17H2
InChIKeyZHRRZNZSSMPJIW-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.28
Rot. Bonds3

About [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol (PubChem CID 79427568) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol
PubChem CID79427568
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2cc(Cl)cs2)CCc2ccccc21
InChIInChI=1S/C15H16ClNOS/c16-11-7-13(19-8-11)14(18)15(9-17)6-5-10-3-1-2-4-12(10)15/h1-4,7-8,14,18H,5-6,9,17H2
InChIKeyZHRRZNZSSMPJIW-UHFFFAOYSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol
CID 79123645
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol
CID 79138518
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol
CID 79137526
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol
CID 79137764
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylpyrimidin-4-yl)methanol
CID 115530059
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol
CID 79134701
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol
CID 79124777
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol
CID 79123653
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 79595903
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,3-dimethylpyrazol-4-yl)methanol
CID 83095188
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol
CID 79125450
2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-hydroxyacetaldehyde
CID 79125434

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol (CID 79427568) is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol is NCC1(C(O)c2cc(Cl)cs2)CCc2ccccc21.
What is the InChIKey of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol?
The InChIKey is ZHRRZNZSSMPJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c16-11-7-13(19-8-11)14(18)15(9-17)6-5-10-3-1-2-4-12(10)15/h1-4,7-8,14,18H,5-6,9,17H2.
What are the key properties of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol?
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol has a molecular weight of 293.82 g/mol, XLogP of 3.28, 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]-(4-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 79427568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).