[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine

C18H21FN2 — CID 107878368

IUPAC[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESNCc1cc(CN2CCC(c3ccccc3)C2)ccc1F
InChIInChI=1S/C18H21FN2/c19-18-7-6-14(10-17(18)11-20)12-21-9-8-16(13-21)15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13,20H2
InChIKeyYYJSZFOBCHWHIW-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.27
Rot. Bonds4

About [2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine

[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine (PubChem CID 107878368) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is [2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine
PubChem CID107878368
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESNCc1cc(CN2CCC(c3ccccc3)C2)ccc1F
InChIInChI=1S/C18H21FN2/c19-18-7-6-14(10-17(18)11-20)12-21-9-8-16(13-21)15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13,20H2
InChIKeyYYJSZFOBCHWHIW-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878208
[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 107878528
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
CID 62943367
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
CID 107878026
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine
CID 19959051
3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline
CID 63330761
2-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 107878578
4-chloro-2-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82985685

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine (CID 107878368) is [2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine is NCc1cc(CN2CCC(c3ccccc3)C2)ccc1F.
What is the InChIKey of [2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is YYJSZFOBCHWHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-18-7-6-14(10-17(18)11-20)12-21-9-8-16(13-21)15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13,20H2.
What are the key properties of [2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine?
[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 107878368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).