N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine

C17H18N2 — CID 91247823

IUPACN-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine
SMILESC[C@@H](NC1=CCCc2cccnc21)c1ccccc1
InChIInChI=1S/C17H18N2/c1-13(14-7-3-2-4-8-14)19-16-11-5-9-15-10-6-12-18-17(15)16/h2-4,6-8,10-13,19H,5,9H2,1H3/t13-/m1/s1
InChIKeyGWDMWNYFFKIISA-CYBMUJFWSA-N
MW250.35 g/mol
LogP3.72
Rot. Bonds3

About N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine

N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine (PubChem CID 91247823) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine
PubChem CID91247823
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC NameN-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine
SMILESC[C@@H](NC1=CCCc2cccnc21)c1ccccc1
InChIInChI=1S/C17H18N2/c1-13(14-7-3-2-4-8-14)19-16-11-5-9-15-10-6-12-18-17(15)16/h2-4,6-8,10-13,19H,5,9H2,1H3/t13-/m1/s1
InChIKeyGWDMWNYFFKIISA-CYBMUJFWSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine (CID 91247823) is N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine is C[C@@H](NC1=CCCc2cccnc21)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine?
The InChIKey is GWDMWNYFFKIISA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2/c1-13(14-7-3-2-4-8-14)19-16-11-5-9-15-10-6-12-18-17(15)16/h2-4,6-8,10-13,19H,5,9H2,1H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine?
N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine has a molecular weight of 250.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine is sourced from PubChem (CID 91247823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).