N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine

C15H18FN3 — CID 107424086

IUPACN-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCc2cc(F)cc3cccnc23)CCNC1
InChIInChI=1S/C15H18FN3/c1-15(4-6-17-10-15)19-9-12-8-13(16)7-11-3-2-5-18-14(11)12/h2-3,5,7-8,17,19H,4,6,9-10H2,1H3
InChIKeyKPMDUJJNNRCXNU-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.22
Rot. Bonds3

About N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine

N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine (PubChem CID 107424086) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine
PubChem CID107424086
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCc2cc(F)cc3cccnc23)CCNC1
InChIInChI=1S/C15H18FN3/c1-15(4-6-17-10-15)19-9-12-8-13(16)7-11-3-2-5-18-14(11)12/h2-3,5,7-8,17,19H,4,6,9-10H2,1H3
InChIKeyKPMDUJJNNRCXNU-UHFFFAOYSA-N
XLogP2.22
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoroquinolin-8-yl)-N-methylmethanamine
CID 115697313
N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424600
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424604
N-[(6-fluoroquinolin-8-yl)methyl]propan-2-amine
CID 115697277
N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423450
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423886
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907414
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899
N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine
CID 63300526
8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline
CID 66289908
N-(3-methylpyrrolidin-3-yl)pyridin-2-amine
CID 107425698

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine (CID 107424086) is N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine is CC1(NCc2cc(F)cc3cccnc23)CCNC1.
What is the InChIKey of N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine?
The InChIKey is KPMDUJJNNRCXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-15(4-6-17-10-15)19-9-12-8-13(16)7-11-3-2-5-18-14(11)12/h2-3,5,7-8,17,19H,4,6,9-10H2,1H3.
What are the key properties of N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine?
N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine has a molecular weight of 259.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107424086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).