5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol

C16H18N2O — CID 118598225

IUPAC5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol
SMILESNCC1(O)CCCc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C16H18N2O/c17-11-16(19)10-4-7-15-13(16)8-9-14(18-15)12-5-2-1-3-6-12/h1-3,5-6,8-9,19H,4,7,10-11,17H2
InChIKeyYEEVKUUVZQXPAF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.23
Rot. Bonds2

About 5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol

5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol (PubChem CID 118598225) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol.

Molecular Properties

Compound Name5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol
PubChem CID118598225
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol
SMILESNCC1(O)CCCc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C16H18N2O/c17-11-16(19)10-4-7-15-13(16)8-9-14(18-15)12-5-2-1-3-6-12/h1-3,5-6,8-9,19H,4,7,10-11,17H2
InChIKeyYEEVKUUVZQXPAF-UHFFFAOYSA-N
XLogP2.23
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol?
The IUPAC name of 5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol (CID 118598225) is 5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol.
What is the SMILES notation for 5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol?
The canonical SMILES for 5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol is NCC1(O)CCCc2nc(-c3ccccc3)ccc21.
What is the InChIKey of 5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol?
The InChIKey is YEEVKUUVZQXPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-11-16(19)10-4-7-15-13(16)8-9-14(18-15)12-5-2-1-3-6-12/h1-3,5-6,8-9,19H,4,7,10-11,17H2.
What are the key properties of 5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol?
5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol has a molecular weight of 254.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-phenyl-7,8-dihydro-6H-quinolin-5-ol is sourced from PubChem (CID 118598225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).