3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine

C15H22FNO — CID 79632348

IUPAC3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Oc2cc(C)ccc2F)C1
InChIInChI=1S/C15H22FNO/c1-3-8-17-12-5-6-13(10-12)18-15-9-11(2)4-7-14(15)16/h4,7,9,12-13,17H,3,5-6,8,10H2,1-2H3
InChIKeyFZIMKGJSQHTFSB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.43
Rot. Bonds5

About 3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine

3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine (PubChem CID 79632348) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
PubChem CID79632348
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Oc2cc(C)ccc2F)C1
InChIInChI=1S/C15H22FNO/c1-3-8-17-12-5-6-13(10-12)18-15-9-11(2)4-7-14(15)16/h4,7,9,12-13,17H,3,5-6,8,10H2,1-2H3
InChIKeyFZIMKGJSQHTFSB-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 66351826
3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
CID 107169056
3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine
CID 79642895
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine
CID 79643366
N-ethyl-3-(2,3,5-trimethylphenoxy)cyclopentan-1-amine
CID 79643021
3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66351549
3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64724498
N-propyl-3-quinolin-5-yloxycyclopentan-1-amine
CID 103044462

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine (CID 79632348) is 3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine is CCCNC1CCC(Oc2cc(C)ccc2F)C1.
What is the InChIKey of 3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine?
The InChIKey is FZIMKGJSQHTFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-8-17-12-5-6-13(10-12)18-15-9-11(2)4-7-14(15)16/h4,7,9,12-13,17H,3,5-6,8,10H2,1-2H3.
What are the key properties of 3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine?
3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79632348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).