1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine

C15H18FN — CID 57200436

IUPAC1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine
SMILESCC1=C(N2CCCC2)CCc2cc(F)ccc21
InChIInChI=1S/C15H18FN/c1-11-14-6-5-13(16)10-12(14)4-7-15(11)17-8-2-3-9-17/h5-6,10H,2-4,7-9H2,1H3
InChIKeyYGDPJVRPVLKEJE-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.60
Rot. Bonds1

About 1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine

1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine (PubChem CID 57200436) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine
PubChem CID57200436
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine
SMILESCC1=C(N2CCCC2)CCc2cc(F)ccc21
InChIInChI=1S/C15H18FN/c1-11-14-6-5-13(16)10-12(14)4-7-15(11)17-8-2-3-9-17/h5-6,10H,2-4,7-9H2,1H3
InChIKeyYGDPJVRPVLKEJE-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone
CID 19833131
2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 24747264
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 145095374
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
ethane;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 144695730
1-(2,5-difluorophenyl)piperidine
CID 22638080
(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one
CID 116532637
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)propanoic acid
CID 116531411
1-(6-fluoro-3,4-dihydronaphthalen-1-yl)-N-methylmethanamine
CID 105445145
5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole
CID 146279489
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine?
The IUPAC name of 1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine (CID 57200436) is 1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine is CC1=C(N2CCCC2)CCc2cc(F)ccc21.
What is the InChIKey of 1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine?
The InChIKey is YGDPJVRPVLKEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-11-14-6-5-13(16)10-12(14)4-7-15(11)17-8-2-3-9-17/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine?
1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine has a molecular weight of 231.31 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 57200436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).