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

C13H18FNO — CID 102981045

IUPAC3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2cc(F)ccc2C)C1
InChIInChI=1S/C13H18FNO/c1-9-3-4-10(14)7-13(9)16-12-6-5-11(8-12)15-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3
InChIKeyDSSDWPALVOABCT-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.65
Rot. Bonds3

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

3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine (PubChem CID 102981045) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
PubChem CID102981045
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2cc(F)ccc2C)C1
InChIInChI=1S/C13H18FNO/c1-9-3-4-10(14)7-13(9)16-12-6-5-11(8-12)15-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3
InChIKeyDSSDWPALVOABCT-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 79632657
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548
3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine
CID 107168914
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine
CID 66351796
2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990439
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990440
3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine
CID 79618917
3-(5-fluoro-2-methylphenoxy)azetidine
CID 84657893
3-(2-methoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79643718
3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine
CID 79642888

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine (CID 102981045) is 3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine is CNC1CCC(Oc2cc(F)ccc2C)C1.
What is the InChIKey of 3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine?
The InChIKey is DSSDWPALVOABCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-3-4-10(14)7-13(9)16-12-6-5-11(8-12)15-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine?
3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 102981045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).