(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine

C11H15FN2 — CID 82505256

IUPAC(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine
SMILESNCc1cccc(F)c1N1CCCC1
InChIInChI=1S/C11H15FN2/c12-10-5-3-4-9(8-13)11(10)14-6-1-2-7-14/h3-5H,1-2,6-8,13H2
InChIKeyOPSYCSRZKCZDLH-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.88
Rot. Bonds2

About (3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine

(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine (PubChem CID 82505256) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine
PubChem CID82505256
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine
SMILESNCc1cccc(F)c1N1CCCC1
InChIInChI=1S/C11H15FN2/c12-10-5-3-4-9(8-13)11(10)14-6-1-2-7-14/h3-5H,1-2,6-8,13H2
InChIKeyOPSYCSRZKCZDLH-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-2-piperidin-1-ylaniline
CID 70587654
2-(azepan-1-yl)-3-fluoroaniline
CID 81311219
N-[(3-fluoro-2-pyrrolidin-1-ylphenyl)methyl]-2-methylpropan-1-amine
CID 114068086
1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
CID 168514829
3-(3-fluoro-2-piperazin-1-ylphenyl)propan-1-amine
CID 170868010
3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine
CID 170879139
(2,3-difluorophenyl)methanamine
CID 2736941
3-fluoro-2-piperidin-1-ylbenzoic acid
CID 62649816
[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
1-(2,6-diethylphenyl)piperidine
CID 10608826
2-(2-fluoro-6-piperidin-1-ylphenyl)ethanamine
CID 82286983
2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine
CID 82291720

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine?
The IUPAC name of (3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine (CID 82505256) is (3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine.
What is the SMILES notation for (3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine?
The canonical SMILES for (3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine is NCc1cccc(F)c1N1CCCC1.
What is the InChIKey of (3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine?
The InChIKey is OPSYCSRZKCZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-10-5-3-4-9(8-13)11(10)14-6-1-2-7-14/h3-5H,1-2,6-8,13H2.
What are the key properties of (3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine?
(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine has a molecular weight of 194.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine is sourced from PubChem (CID 82505256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).