3-(6-fluoroquinolin-8-yl)propan-1-amine

C12H13FN2 — CID 82576719

IUPAC3-(6-fluoroquinolin-8-yl)propan-1-amine
SMILESNCCCc1cc(F)cc2cccnc12
InChIInChI=1S/C12H13FN2/c13-11-7-9(3-1-5-14)12-10(8-11)4-2-6-15-12/h2,4,6-8H,1,3,5,14H2
InChIKeyBZPBWCYHPCPWMO-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.27
Rot. Bonds3

About 3-(6-fluoroquinolin-8-yl)propan-1-amine

3-(6-fluoroquinolin-8-yl)propan-1-amine (PubChem CID 82576719) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-(6-fluoroquinolin-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-fluoroquinolin-8-yl)propan-1-amine
PubChem CID82576719
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name3-(6-fluoroquinolin-8-yl)propan-1-amine
SMILESNCCCc1cc(F)cc2cccnc12
InChIInChI=1S/C12H13FN2/c13-11-7-9(3-1-5-14)12-10(8-11)4-2-6-15-12/h2,4,6-8H,1,3,5,14H2
InChIKeyBZPBWCYHPCPWMO-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine
CID 82576579
1-(6-fluoroquinolin-8-yl)-N-methylmethanamine
CID 115697313
2-[(6-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 43249014
N'-[(6-fluoroquinolin-8-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912960
N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine
CID 115697277
(2R)-2-amino-3-[(6-fluoroquinolin-8-yl)methylsulfanyl]propanoic acid
CID 61141175
(2R)-3-[(6-fluoroquinolin-8-yl)methylsulfanyl]propane-1,2-diol
CID 97079677
1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione
CID 97185355
8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline
CID 66289908
6-fluoro-8-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]quinoline
CID 47025957
4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile
CID 38827522
(2R)-2-amino-3-[(6-fluoroquinolin-8-yl)methylsulfanyl]-3-methylbutanoic acid
CID 106442635

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroquinolin-8-yl)propan-1-amine?
The IUPAC name of 3-(6-fluoroquinolin-8-yl)propan-1-amine (CID 82576719) is 3-(6-fluoroquinolin-8-yl)propan-1-amine.
What is the SMILES notation for 3-(6-fluoroquinolin-8-yl)propan-1-amine?
The canonical SMILES for 3-(6-fluoroquinolin-8-yl)propan-1-amine is NCCCc1cc(F)cc2cccnc12.
What is the InChIKey of 3-(6-fluoroquinolin-8-yl)propan-1-amine?
The InChIKey is BZPBWCYHPCPWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-11-7-9(3-1-5-14)12-10(8-11)4-2-6-15-12/h2,4,6-8H,1,3,5,14H2.
What are the key properties of 3-(6-fluoroquinolin-8-yl)propan-1-amine?
3-(6-fluoroquinolin-8-yl)propan-1-amine has a molecular weight of 204.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroquinolin-8-yl)propan-1-amine is sourced from PubChem (CID 82576719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).