[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine

C17H25FN2 — CID 107878335

IUPAC[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(CN2CCCC2C2CCCC2)ccc1F
InChIInChI=1S/C17H25FN2/c18-16-8-7-13(10-15(16)11-19)12-20-9-3-6-17(20)14-4-1-2-5-14/h7-8,10,14,17H,1-6,9,11-12,19H2
InChIKeyPYZZRGOGMCUGMH-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.44
Rot. Bonds4

About [5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine

[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine (PubChem CID 107878335) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is [5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine
PubChem CID107878335
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(CN2CCCC2C2CCCC2)ccc1F
InChIInChI=1S/C17H25FN2/c18-16-8-7-13(10-15(16)11-19)12-20-9-3-6-17(20)14-4-1-2-5-14/h7-8,10,14,17H,1-6,9,11-12,19H2
InChIKeyPYZZRGOGMCUGMH-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-fluorophenol
CID 107694123
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile
CID 103758407
2-[4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]ethanamine
CID 102726874
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-fluoroaniline
CID 82747102
1-[(3-bromo-4-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750472
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]methanamine
CID 63888042
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699329
[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methoxyphenyl]methanamine
CID 102725578
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylaniline
CID 102726820
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-fluorobenzonitrile
CID 102726395
1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine
CID 55192798
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-bromophenol
CID 82982172

Frequently Asked Questions

What is the IUPAC name of [5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine (CID 107878335) is [5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine is NCc1cc(CN2CCCC2C2CCCC2)ccc1F.
What is the InChIKey of [5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The InChIKey is PYZZRGOGMCUGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c18-16-8-7-13(10-15(16)11-19)12-20-9-3-6-17(20)14-4-1-2-5-14/h7-8,10,14,17H,1-6,9,11-12,19H2.
What are the key properties of [5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine?
[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine has a molecular weight of 276.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107878335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).