[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine

C16H23FN2 — CID 117113346

IUPAC[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc(F)cc2N2CCCC2)CCCC1
InChIInChI=1S/C16H23FN2/c17-13-5-6-14(16(12-18)7-1-2-8-16)15(11-13)19-9-3-4-10-19/h5-6,11H,1-4,7-10,12,18H2
InChIKeyPROCUHNBQLZWIR-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.20
Rot. Bonds3

About [1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine

[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine (PubChem CID 117113346) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is [1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine
PubChem CID117113346
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc(F)cc2N2CCCC2)CCCC1
InChIInChI=1S/C16H23FN2/c17-13-5-6-14(16(12-18)7-1-2-8-16)15(11-13)19-9-3-4-10-19/h5-6,11H,1-4,7-10,12,18H2
InChIKeyPROCUHNBQLZWIR-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-piperidin-1-ylphenyl)cyclobutyl]methanamine
CID 117363360
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
CID 117047242
[1-(2-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 82614208
2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde
CID 117316027
[1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine
CID 117113342
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentan-1-amine
CID 117374393
2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol
CID 117405590
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol
CID 117316011
1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol
CID 117117554
[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
CID 117416314

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine (CID 117113346) is [1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine is NCC1(c2ccc(F)cc2N2CCCC2)CCCC1.
What is the InChIKey of [1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine?
The InChIKey is PROCUHNBQLZWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c17-13-5-6-14(16(12-18)7-1-2-8-16)15(11-13)19-9-3-4-10-19/h5-6,11H,1-4,7-10,12,18H2.
What are the key properties of [1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine?
[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine has a molecular weight of 262.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117113346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).