1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine

C16H22FNO — CID 117413278

IUPAC1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
SMILESNC1(c2ccc(OCC3CCC3)c(F)c2)CCCC1
InChIInChI=1S/C16H22FNO/c17-14-10-13(16(18)8-1-2-9-16)6-7-15(14)19-11-12-4-3-5-12/h6-7,10,12H,1-5,8-9,11,18H2
InChIKeyCPDOYYWTDOCNGB-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine

1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine (PubChem CID 117413278) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
PubChem CID117413278
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
SMILESNC1(c2ccc(OCC3CCC3)c(F)c2)CCCC1
InChIInChI=1S/C16H22FNO/c17-14-10-13(16(18)8-1-2-9-16)6-7-15(14)19-11-12-4-3-5-12/h6-7,10,12H,1-5,8-9,11,18H2
InChIKeyCPDOYYWTDOCNGB-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
CID 117309901
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
4-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine
CID 84787922
[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
CID 117470930

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine (CID 117413278) is 1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine is NC1(c2ccc(OCC3CCC3)c(F)c2)CCCC1.
What is the InChIKey of 1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine?
The InChIKey is CPDOYYWTDOCNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-14-10-13(16(18)8-1-2-9-16)6-7-15(14)19-11-12-4-3-5-12/h6-7,10,12H,1-5,8-9,11,18H2.
What are the key properties of 1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine?
1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine is sourced from PubChem (CID 117413278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).