[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine

C12H17FN2 — CID 63288576

IUPAC[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1CN1CCCC1
InChIInChI=1S/C12H17FN2/c13-12-4-3-10(11(7-12)8-14)9-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8-9,14H2
InChIKeyXUJIKIWUBZYFNW-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.88
Rot. Bonds3

About [5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine

[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine (PubChem CID 63288576) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
PubChem CID63288576
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1CN1CCCC1
InChIInChI=1S/C12H17FN2/c13-12-4-3-10(11(7-12)8-14)9-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8-9,14H2
InChIKeyXUJIKIWUBZYFNW-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
CID 63288757
2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 63289209
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
CID 64769291
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]azocan-2-one
CID 55173087
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine (CID 63288576) is [5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine is NCc1cc(F)ccc1CN1CCCC1.
What is the InChIKey of [5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is XUJIKIWUBZYFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-12-4-3-10(11(7-12)8-14)9-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8-9,14H2.
What are the key properties of [5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 63288576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).