1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine

C12H17FN2 — CID 103575513

IUPAC1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(F)cc2)CC1N
InChIInChI=1S/C12H17FN2/c1-9-6-15(8-12(9)14)7-10-2-4-11(13)5-3-10/h2-5,9,12H,6-8,14H2,1H3
InChIKeyMXZOAKRHKAOENR-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.60
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine

1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 103575513) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID103575513
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(F)cc2)CC1N
InChIInChI=1S/C12H17FN2/c1-9-6-15(8-12(9)14)7-10-2-4-11(13)5-3-10/h2-5,9,12H,6-8,14H2,1H3
InChIKeyMXZOAKRHKAOENR-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine (CID 103575513) is 1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2ccc(F)cc2)CC1N.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is MXZOAKRHKAOENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-6-15(8-12(9)14)7-10-2-4-11(13)5-3-10/h2-5,9,12H,6-8,14H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 208.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).