1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol

C15H23NO — CID 79137553

IUPAC1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C15H23NO/c1-14(2,3)13(17)15(10-16)8-11-6-4-5-7-12(11)9-15/h4-7,13,17H,8-10,16H2,1-3H3
InChIKeyJHQXIACQUDGXFP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.14
Rot. Bonds2

About 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol (PubChem CID 79137553) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol
PubChem CID79137553
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C15H23NO/c1-14(2,3)13(17)15(10-16)8-11-6-4-5-7-12(11)9-15/h4-7,13,17H,8-10,16H2,1-3H3
InChIKeyJHQXIACQUDGXFP-UHFFFAOYSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol (CID 79137553) is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)C1(CN)Cc2ccccc2C1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is JHQXIACQUDGXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)13(17)15(10-16)8-11-6-4-5-7-12(11)9-15/h4-7,13,17H,8-10,16H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol?
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79137553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).