[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine

C12H17FN2 — CID 105461999

IUPAC[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(CC2(F)CCNC2)cc1
InChIInChI=1S/C12H17FN2/c13-12(5-6-15-9-12)7-10-1-3-11(8-14)4-2-10/h1-4,15H,5-9,14H2
InChIKeyIDXCFZNDVNOEFO-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.39
Rot. Bonds3

About [4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine

[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine (PubChem CID 105461999) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
PubChem CID105461999
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(CC2(F)CCNC2)cc1
InChIInChI=1S/C12H17FN2/c13-12(5-6-15-9-12)7-10-1-3-11(8-14)4-2-10/h1-4,15H,5-9,14H2
InChIKeyIDXCFZNDVNOEFO-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine (CID 105461999) is [4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine is NCc1ccc(CC2(F)CCNC2)cc1.
What is the InChIKey of [4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine?
The InChIKey is IDXCFZNDVNOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-12(5-6-15-9-12)7-10-1-3-11(8-14)4-2-10/h1-4,15H,5-9,14H2.
What are the key properties of [4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine?
[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 105461999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).