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

C19H23NO — CID 79124777

IUPAC1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol
SMILESCC(c1ccccc1)C(O)C1(CN)CCc2ccccc21
InChIInChI=1S/C19H23NO/c1-14(15-7-3-2-4-8-15)18(21)19(13-20)12-11-16-9-5-6-10-17(16)19/h2-10,14,18,21H,11-13,20H2,1H3
InChIKeyAQOSIOAXKQOMCQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.99
Rot. Bonds4

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

1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol (PubChem CID 79124777) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol
PubChem CID79124777
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol
SMILESCC(c1ccccc1)C(O)C1(CN)CCc2ccccc21
InChIInChI=1S/C19H23NO/c1-14(15-7-3-2-4-8-15)18(21)19(13-20)12-11-16-9-5-6-10-17(16)19/h2-10,14,18,21H,11-13,20H2,1H3
InChIKeyAQOSIOAXKQOMCQ-UHFFFAOYSA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol (CID 79124777) is 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol is CC(c1ccccc1)C(O)C1(CN)CCc2ccccc21.
What is the InChIKey of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol?
The InChIKey is AQOSIOAXKQOMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(15-7-3-2-4-8-15)18(21)19(13-20)12-11-16-9-5-6-10-17(16)19/h2-10,14,18,21H,11-13,20H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol?
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol is sourced from PubChem (CID 79124777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).