N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine

C13H15FN2 — CID 115697277

IUPACN-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)cc2cccnc12
InChIInChI=1S/C13H15FN2/c1-9(2)16-8-11-7-12(14)6-10-4-3-5-15-13(10)11/h3-7,9,16H,8H2,1-2H3
InChIKeyIANAUQKOBVLWAY-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.87
Rot. Bonds3

About N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine

N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine (PubChem CID 115697277) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine
PubChem CID115697277
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC NameN-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)cc2cccnc12
InChIInChI=1S/C13H15FN2/c1-9(2)16-8-11-7-12(14)6-10-4-3-5-15-13(10)11/h3-7,9,16H,8H2,1-2H3
InChIKeyIANAUQKOBVLWAY-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoroquinolin-8-yl)-N-methylmethanamine
CID 115697313
(2S)-N-[(6-fluoroquinolin-8-yl)methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 97226513
N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424086
3-(6-fluoroquinolin-8-yl)propan-1-amine
CID 82576719
6-fluoro-8-methylsulfanylquinoline
CID 170900378
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(6-fluoroquinolin-8-yl)methanamine
CID 71918548
methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate
CID 60970098
1-chloro-4-methyl-N-(quinolin-8-ylmethyl)pentan-3-amine
CID 106353850
2-[(6-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 43249014
3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427173
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile
CID 38827522

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine (CID 115697277) is N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine is CC(C)NCc1cc(F)cc2cccnc12.
What is the InChIKey of N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine?
The InChIKey is IANAUQKOBVLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9(2)16-8-11-7-12(14)6-10-4-3-5-15-13(10)11/h3-7,9,16H,8H2,1-2H3.
What are the key properties of N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine?
N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine has a molecular weight of 218.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine is sourced from PubChem (CID 115697277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).