N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C16H17FN2 — CID 79078877

IUPACN-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESFc1cccc(CNC2CCCc3cccnc32)c1
InChIInChI=1S/C16H17FN2/c17-14-7-1-4-12(10-14)11-19-15-8-2-5-13-6-3-9-18-16(13)15/h1,3-4,6-7,9-10,15,19H,2,5,8,11H2
InChIKeyMSYKYCWQXXZRBQ-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.39
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79078877) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79078877
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC NameN-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESFc1cccc(CNC2CCCc3cccnc32)c1
InChIInChI=1S/C16H17FN2/c17-14-7-1-4-12(10-14)11-19-15-8-2-5-13-6-3-9-18-16(13)15/h1,3-4,6-7,9-10,15,19H,2,5,8,11H2
InChIKeyMSYKYCWQXXZRBQ-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 79078877) is N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine is Fc1cccc(CNC2CCCc3cccnc32)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is MSYKYCWQXXZRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-14-7-1-4-12(10-14)11-19-15-8-2-5-13-6-3-9-18-16(13)15/h1,3-4,6-7,9-10,15,19H,2,5,8,11H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 256.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79078877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).