[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine

C17H24FNO — CID 117444778

IUPAC[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine
SMILESNCC1(c2cc(F)cc(OCC3CCC3)c2)CCCC1
InChIInChI=1S/C17H24FNO/c18-15-8-14(17(12-19)6-1-2-7-17)9-16(10-15)20-11-13-4-3-5-13/h8-10,13H,1-7,11-12,19H2
InChIKeyAJEDYKWWKICXFK-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.78
Rot. Bonds5

About [1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine

[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine (PubChem CID 117444778) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is [1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine
PubChem CID117444778
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine
SMILESNCC1(c2cc(F)cc(OCC3CCC3)c2)CCCC1
InChIInChI=1S/C17H24FNO/c18-15-8-14(17(12-19)6-1-2-7-17)9-16(10-15)20-11-13-4-3-5-13/h8-10,13H,1-7,11-12,19H2
InChIKeyAJEDYKWWKICXFK-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
CID 117492823
2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine
CID 117413305
[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
CID 117470930
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 81326455
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
CID 117382059
[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117472352
1-(3-chloroprop-1-ynyl)-3-(cyclobutylmethoxy)-5-fluorobenzene
CID 81326207
[1-(3-fluoro-5-propan-2-ylphenyl)cyclopentyl]methanamine
CID 84797654
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone
CID 84687564
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903

Frequently Asked Questions

What is the IUPAC name of [1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine (CID 117444778) is [1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine is NCC1(c2cc(F)cc(OCC3CCC3)c2)CCCC1.
What is the InChIKey of [1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine?
The InChIKey is AJEDYKWWKICXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c18-15-8-14(17(12-19)6-1-2-7-17)9-16(10-15)20-11-13-4-3-5-13/h8-10,13H,1-7,11-12,19H2.
What are the key properties of [1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine?
[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine has a molecular weight of 277.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117444778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).